SCHEMBL7009501

SCHEMBL7009501

CC(C=S)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.54
ESR2 Q92731 9/20 0.54
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP2C9 P11712 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL29876871 0.78 CHRNA7 (0.41) TDP1ALDH1A1MEN1NPC1CA1
SCHEMBL28969210 0.78 ESR1 (0.56) ESR1ESR2PDCD1CD274LMNA
SCHEMBL28969167 0.78 ESR1 (0.56) ESR1ESR2PDCD1CD274LMNA
SCHEMBL7934565 0.76 ESR1 (0.54) ESR1ESR2PDCD1CD274LMNA
SCHEMBL351626 0.76 ESR1 (0.54) ESR1ESR2PDCD1CD274LMNA
SCHEMBL10012903 0.75 TRPA1 (0.47) LMNACYP2D6MIFHIF1AKDM4E
SCHEMBL4759107 0.74 ESR1 (0.52) ESR1ESR2PDCD1CD274LMNA
SCHEMBL10403347 0.71 ESR1 (0.42) ESR1ESR2PDCD1CD274LMNA
SCHEMBL15397255 0.71 ESR1 (0.48) ESR1ESR2PDCD1CD274LMNA
SCHEMBL11949347 0.71 ESR1 (0.68) ESR1ESR2PDCD1CD274LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed