Butanal

Butanal

SCHEMBL8338076

CCCC=O.O=S([O-])O.[Na+]

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Butanal. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
TSHR P16473 2/20 0.42
ADH1B P00325 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HIF1A Q16665 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butanal SCHEMBL7550402 0.87
Butanal SCHEMBL7777055 0.84 ALDH1A1 (0.67) ALDH1A1TSHRADH1BADH1AADH7
Sulfurous Acid SCHEMBL7770699 0.84 HIF1A (0.37) ALDH1A1TSHRHIF1A
Sulfurous Acid SCHEMBL8002563 0.84 HIF1A (0.37) ALDH1A1TSHRHIF1A
Propionaldehyde SCHEMBL8424150 0.81
Glutaral SCHEMBL1359455 0.79 HIF1A (0.56) ALDH1A1TSHRFAAHTRPV1HIF1A
Glutaral SCHEMBL456725 0.79 HIF1A (0.56) ALDH1A1TSHRFAAHTRPV1HIF1A
Butanal SCHEMBL10448612 0.78
Butanal SCHEMBL27897686 0.78
Butanal SCHEMBL597713 0.78 ALDH1A1 (1.00) ALDH1A1TSHRADH1BADH1AADH7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727712-B1 Integral silver halide diffusion transfer lithographic printing plates EASTMAN KODAK CO (US) 1999-10-27 EP disclosed
US-5969065-A POLYMER DISPERSION PREPARED BY EMULSION POLYMERIZATION OF VINYL COMPOUNDS COMPRISING EMPLOYING REDOX CATALYST COMPRISING OXIDIZING AGENT AND REDUCING AGENT COMPRISING BIFUNCTIONAL ALDEHYDE MASKED AS BISULFITE ADDUCT BOUND TO POLYMER CLARIANT GMBH (DE) 1999-10-19 US disclosed
EP-0565459-B1 Novel photographic developing solution and use thereof in the high contrast development of nucleated photographic elements EASTMAN KODAK CO (US) 1998-09-16 EP disclosed
US-5744418-A REDUCING AGENT COMPRISING BIFUNCTIONAL ALDEHYDE MASKED AS BISULFITE ADDUCT CLARIANT GMBH (DE) 1998-04-28 US disclosed
EP-0727712-A1 Integral silver halide diffusion transfer lithographic printing plates EASTMAN KODAK COMPANY (US) 1996-08-21 EP disclosed
EP-0329086-B1 Image forming method for silver halide light-sensitive materials KONISHIROKU PHOTO IND (JP) 1996-01-24 EP disclosed
US-5457011-A Containing polyoxyalkylated phosphate ester to inhibit sludge formation EASTMAN KODAK COMPANY (US) 1995-10-10 US disclosed
US-5453348-A Silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1995-09-26 US disclosed
US-5352568-A Bleaching with solution containing ferric complex salt of organic acid, halide compound, buffer, fixing KONICA CORPORATION (JP) 1994-10-04 US disclosed
EP-0244177-B1 Method for processing light-sensitive silver halide color photographic material KONISHIROKU PHOTO IND (JP) 1994-05-04 EP disclosed
US-4778743-A ALDEHYDE DERIVATIVE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1988-10-18 US disclosed
EP-0270217-A2 Bleach-fixing solution having good processing performance and method for processing light-sensitive material using the same KONICA CORPORATION (JP) 1988-06-08 EP disclosed
EP-0270382-A2 Method for treating photographic processing waste solution KONICA CORPORATION (JP) 1988-06-08 EP disclosed
US-4705377-A Automatic processing machine for light-sensitive color photographic material KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-11-10 US disclosed
EP-0244177-A2 Method for processing light-sensitive silver halide color photographic material KONICA CORPORATION (JP) 1987-11-04 EP disclosed
US-4623613-A CONTROLLING SULFITE CONCENTRATION TO PREVENT FORMATION OF SILVER SULFIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-11-18 US disclosed
EP-0186158-A2 Method of processing light-sensitive silver halide photographic material KONICA CORPORATION (JP) 1986-07-02 EP disclosed
EP-0165805-A2 Automatic processing machine for light-sensitive color photographic material KONICA CORPORATION (JP) 1985-12-27 EP disclosed
US-4125402-A Method of processing silver dye bleaching materials and preparations suitable for the dye and silver bleaching CIBA-GEIGY AG (CH) 1978-11-14 US disclosed
US-4033771-A IRON OR COBALT COMPLEX WITH POLYCARBOXYLIC ACID, THIOSULFATES, CARBONYL BISULFITE ADDUCT EASTMAN KODAK COMPANY (US) 1977-07-05 US disclosed