SCHEMBL6089445

SCHEMBL6089445

CC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.57
GPBAR1 Q8TDU6 6/20 0.57
CYSLTR2 Q9NS75 8/20 0.54
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL6091889 0.94 GPBAR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6582739 0.89 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6583883 0.89 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6587628 0.88 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL6090022 0.88 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2MEN1ALDH1A1
SCHEMBL10635560 0.86 CYSLTR1 (0.71) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6585862 0.85 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL6584092 0.84 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089519 0.84 CYSLTR2 (0.47) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6587664 0.84 GPBAR1 (0.49) CYSLTR1GPBAR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 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
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 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
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed