SCHEMBL7859405

SCHEMBL7859405

C=CC(=O)CCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.41

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 18)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.33
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
HBB P68871 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
BBOX1 O75936 2/20 0.34
EPHX2 P34913 1/20 0.34
ENPEP Q07075 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL5707749 0.78 APP (0.41) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL7859407 0.77 APP (0.39) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL1988202 0.74 ALDH1A1 (0.50) ALDH1A1TSHRLMNATP53MAPK1
SCHEMBL6557587 0.74 ALDH1A1 (0.50) ALDH1A1TSHRLMNAMAPK1PMP22
Methacrylic Acid SCHEMBL9644446 0.73 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL5022357 0.73 CA1 (0.48) ALDH1A1TSHRGMNNLMNATP53
SCHEMBL50402 0.72 APP (0.39) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL9797241 0.72 KDM4E (0.36) ALDH1A1TSHRGMNNLMNATP53
SCHEMBL2720592 0.72 ALDH1A1 (0.37) ALDH1A1TSHRLMNA
SCHEMBL23631357 0.71 TSHR (0.48) ALDH1A1TSHRLMNAMAPK1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6312885-B1 WITH IMAGE FORMING LAYERS OF DIFFERENT THERMAL EXPANSION COEFFICIENTS FUJI PHOTO FILM CO., LTD. (JP) 2001-11-06 US disclosed
US-5354642-A Polymeric couplers for heat image separation systems EASTMAN KODAK COMPANY (US) 1994-10-11 US disclosed
EP-0582988-A2 Polymeric couplers for heat image separation systems EASTMAN KODAK COMPANY (US) 1994-02-16 EP disclosed
EP-0280330-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1993-07-21 EP disclosed
US-5151356-A Yellow dye forming polymer couplers and dye developers FUJI PHOTO FILM CO., LTD. (JP) 1992-09-29 US disclosed
EP-0259864-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1991-09-04 EP disclosed
US-4960688-A CONTAINING WATER SOLUBLE POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1990-10-02 US disclosed
EP-0283938-A1 Silver halide color photographic material Fuji Photo Film Co., Ltd. (JP) 1988-09-28 EP disclosed
EP-0280330-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-08-31 EP disclosed
EP-0259864-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-03-16 EP disclosed