SCHEMBL6584953

SCHEMBL6584953

CC(Oc1ccccc1CSc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.53
GPBAR1 Q8TDU6 3/20 0.53
CYSLTR2 Q9NS75 7/20 0.52
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL6582739 0.88 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6588072 0.83 GPBAR1 (0.59) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10635560 0.82 CYSLTR1 (0.71) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089445 0.82 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL6090583 0.81 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL6091889 0.78 GPBAR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6583894 0.78 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089253 0.78 CYSLTR1 (0.59) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088757 0.78 CYSLTR1 (0.48) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6584092 0.77 CYSLTR1 (0.58) 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 5 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
US-4920131-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US 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