SCHEMBL9207699

SCHEMBL9207699

COC(=O)CC(=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.47
▸ LTB4R Q15722 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ CYSLTR1 Q9Y271 2/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.38

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
SCHEMBL14272575 0.91 LTB4R (0.44) PLA2G2ALTB4RCYP4F2CYP4A11CYSLTR1
SCHEMBL9210323 0.85 LTB4R (0.49) PLA2G2ALTB4RKDM4E
SCHEMBL14272573 0.83 CCR2 (0.47) PLA2G2ALTB4RCYSLTR1
SCHEMBL9203644 0.82 CYSLTR1 (0.60) CYSLTR1CYSLTR2
SCHEMBL9202903 0.78 PLA2G2A (0.45) PLA2G2ALTB4RCYP4F2CYP4A11CYSLTR1
SCHEMBL9202908 0.78 PLA2G2A (0.45) PLA2G2ALTB4RCYP4F2CYP4A11CYSLTR1
SCHEMBL4416755 0.75 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL4416752 0.75 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL9339023 0.75 GPBAR1 (0.45) PLA2G2ACYSLTR1
SCHEMBL2057210 0.74 ERCC5 (0.63) KDM4E

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-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 — — EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 — — US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — EP disclosed
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