SCHEMBL6587628

SCHEMBL6587628

O=C(O)C(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.53
GPBAR1 Q8TDU6 4/20 0.53
CYSLTR2 Q9NS75 7/20 0.52
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
KDM4E B2RXH2 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
SCHEMBL6585772 0.94 GPBAR1 (0.52) CYSLTR1GPBAR1CYSLTR2PPARGPPARA
SCHEMBL6089445 0.88 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2MAPK1MEN1
SCHEMBL6583883 0.85 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090022 0.85 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2MAPK1MEN1
SCHEMBL6583639 0.84 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2MAPK1MEN1
SCHEMBL6585862 0.84 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2MAPK1MEN1
SCHEMBL6583908 0.83 GPBAR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6091889 0.82 GPBAR1 (0.53) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089826 0.79 CYSLTR2 (0.52) CYSLTR1GPBAR1CYSLTR2PPARGPPARA
SCHEMBL6587664 0.79 GPBAR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
EP-0784052-A1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1997-07-16 EP disclosed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP disclosed