SCHEMBL8596393

SCHEMBL8596393

CCCCCCCCCCCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCCCCCCCCCC)cc(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.58

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 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.58
AKR1C4 P17516 1/20 0.58
AKR1C3 P42330 1/20 0.58
AKR1C2 P52895 1/20 0.58
AKR1C1 Q04828 1/20 0.58
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.51
STS P08842 6/20 0.51

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
SCHEMBL6850407 0.97 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6296763 0.97 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6856893 0.97 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6856417 0.97 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6292096 0.97 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6291888 0.97 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4605710 0.96 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4605018 0.96 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4603155 0.96 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4606228 0.91 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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-0463639-B1 Color photographs and process for making the same FUJI PHOTO FILM CO LTD (JP) 1998-01-14 EP disclosed
US-5242785-A Silver halide color photographic material containing color stain inhibitors and discoloring inhibitors FUJI PHOTO FILM CO., LTD. (JP) 1993-09-07 US disclosed
US-5176989-A Control of light and dark fading FUJI PHOTO FILM CO., LTD. (JP) 1993-01-05 US disclosed
US-5108876-A Storage stability improving compound FUJI PHOTO FILM CO., LTD. (JP) 1992-04-28 US disclosed
EP-0463639-A1 Color photographs and process for making the same FUJI PHOTO FILM CO., LTD. (JP) 1992-01-02 EP disclosed
US-5047315-A Color-stain prevention FUJI PHOTO FILM CO., LTD. (JP) 1991-09-10 US disclosed
US-4939072-A DEVELOPING IN PRESENCE OF STORAGE STABILITY IMPROVING COMPOUND WHICH FORMS COLORLESS SUBSTANCE BY REACTING WITH RESIDUAL DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 1990-07-03 US disclosed
EP-0255722-A2 Color photographs and process for making the same FUJI PHOTO FILM CO., LTD. (JP) 1988-02-10 EP disclosed