SCHEMBL4579599

SCHEMBL4579599

CCCCCCCCCc1ccc(OOOOCCCCCCS(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.43

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 3/20 0.42
THRB known ✓ P10828 2/20 0.41
THRA known ✓ P10827 1/20 0.41
CA12 known ✓ O43570 1/20 0.36
CA1 known ✓ P00915 1/20 0.36
FUT7 Q11130 1/20 0.43
S1PR1 P21453 2/20 0.40
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
S1PR2 O95136 1/20 0.38

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
SCHEMBL4579323 0.87 S1PR1 (0.51) CA2THRBTHRAS1PR1HTR2A
SCHEMBL9393646 0.85 MEN1 (0.53) FUT7CA2S1PR1SMN1; SMN2MEN1
SCHEMBL6106867 0.81 THRB (0.44) FUT7CA2THRBTHRAS1PR1
SCHEMBL28437698 0.81 MEN1 (0.55) FUT7CA2S1PR1SMN1; SMN2MEN1
SCHEMBL4389422 0.80 THRB (0.42) FUT7CA2THRBTHRAS1PR1
SCHEMBL11511436 0.80 MEN1 (0.61) FUT7CA2S1PR1SMN1; SMN2MEN1
4-Nonylphenol SCHEMBL11335761 0.80 NR5A1 (0.58) S1PR1SMN1; SMN2MEN1USP2ALDH1A1
Potassium Ion SCHEMBL29760204 0.78 MEN1 (0.55) FUT7CA2S1PR1SMN1; SMN2MEN1
SCHEMBL27518731 0.74 MEN1 (0.64) FUT7CA2S1PR1SMN1; SMN2MEN1
SCHEMBL4459952 0.74 MEN1 (0.64) FUT7CA2S1PR1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-20060205594-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2006-09-14 US disclosed
US-20050187102-A1 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed
US-6767862-B2 IMAGE STORABILITY AND LIGHTFASTNESS; DOES NOT HAVE BACKGROUND FOGGING FUJI PHOTO FILM CO., LTD. (JP) 2004-07-27 US disclosed
US-20020172805-A1 Thermal recording material FUJI PHOTO FILM CO., LTD. 2002-11-21 US disclosed
US-4525449-A SULFIDE COMPOUND IN BLACK AND WHITE DEVELOPERS FUJI PHOTO FILM COMPANY, LIMITED (JP) 1985-06-25 US disclosed
US-4258127-A PHOTOGRAPHY, FOGGING FUJI PHOTO FILM CO., LTD. (JP) 1981-03-24 US disclosed
US-4162161-A SILVER HALIDE, STANNOUS SALT, PHOSPHONOCARBOXYLIC ACID FUJI PHOTO FILM CO., LTD. (JP) 1979-07-24 US disclosed
US-4144068-A BLEACHING, FIXING, BLEACH ACCELERATOR, FERRIC ION COMPLEX AS BLEACHING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1979-03-13 US disclosed
US-4095982-A IMIDAZOLIUM SALT AS ACCELERATORS FUJI PHOTO FILM CO., LTD. (JA) 1978-06-20 US disclosed
US-4084969-A SILVER IODIDE, DEVELOPMENT IN PRESENCE OF TRIVALENT COBALT COMPLEX FUJI PHOTO FILM CO., LTD. (JA) 1978-04-18 US disclosed