SCHEMBL9393644

SCHEMBL9393644

CCCCCCCCCc1ccc(OC(CCC)S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.47
THRB known ✓ P10828 3/20 0.43
THRA known ✓ P10827 2/20 0.43
ADORA3 known ✓ P0DMS8 2/20 0.41
PTGS1 known ✓ P23219 1/20 0.41
ADORA2A known ✓ P29274 1/20 0.41
PTGS2 known ✓ P35354 1/20 0.41
FUT7 Q11130 1/20 0.48
PPARA Q07869 1/20 0.45
S1PR1 P21453 4/20 0.44
S1PR2 O95136 2/20 0.44
S1PR3 Q99500 2/20 0.44
FDFT1 P37268 1/20 0.43
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL28437699 0.90 FUT7 (0.49) FUT7CA2PPARAS1PR1S1PR2
SCHEMBL8070739 0.85 S1PR1 (0.51) CA2PPARAS1PR1S1PR2S1PR3
SCHEMBL9452161 0.84 FUT7 (0.51) FUT7CA2PPARAS1PR1S1PR2
SCHEMBL11335756 0.83 PPARA (0.44) FUT7CA2PPARAS1PR1S1PR2
SCHEMBL5617338 0.79 FUT7 (0.46) FUT7CA2PPARAS1PR1S1PR2
SCHEMBL11794637 0.78 PPARA (0.50) CA2PPARAS1PR1S1PR2S1PR3
SCHEMBL5147946 0.77 FUT7 (0.44) FUT7CA2PPARAS1PR1S1PR2
SCHEMBL5322295 0.77 FUT7 (0.72) FUT7CA2THRBTHRASMN1; SMN2
SCHEMBL5320216 0.77 FUT7 (0.72) FUT7CA2THRBTHRASMN1; SMN2
SCHEMBL6910582 0.77 FUT7 (0.72) FUT7CA2THRBTHRASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288059-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1994-02-23 EP disclosed
US-5153115-A A backing or subbing antistatic layer comprising an acrylic ester, amide or ketone having ether, amine and/or sulfide groups; high-speed, automatic development protection FUJI PHOTO FILM CO., LTD. (JP) 1992-10-06 US disclosed
US-5028516-A Method of forming an image comprising rapidly developing an infrared sensitized photographic material comprising surfactants FUJI PHOTO FILM CO., LTD. (JP) 1991-07-02 US disclosed
EP-0401826-A1 Silver halide photographic materials and method for manufacture thereof FUJI PHOTO FILM CO., LTD. (JP) 1990-12-12 EP disclosed
US-4943520-A SUBBING LAYER OF POLYOLS; ENDCAPPED POLYETHERS FUJI PHOTO FILM CO., LTD. (JP) 1990-07-24 US disclosed
EP-0288059-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-10-26 EP disclosed
US-4358532-A Photographic element FUJI PHOTO FILM CO., LTD. (JP) 1982-11-09 US disclosed
US-4336322-A DYE RELEASING REDOX COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1982-06-22 US disclosed