SCHEMBL14272575

SCHEMBL14272575

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.44
▸ PLA2G2A P14555 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL9207699 0.91 PLA2G2A (0.47) LTB4RPLA2G2ACYP4F2CYP4A11CYSLTR2
SCHEMBL9210323 0.82 LTB4R (0.49) LTB4RPLA2G2AMAOB
SCHEMBL14272573 0.80 CCR2 (0.47) LTB4RPLA2G2ACYSLTR1
SCHEMBL27467039 0.78 MAPT (0.41) PLA2G2AMAOBCYSLTR2CYSLTR1
SCHEMBL9950289 0.78 CYSLTR1 (0.54) CYSLTR2CYSLTR1
SCHEMBL9950291 0.78 CYSLTR1 (0.54) CYSLTR2CYSLTR1
SCHEMBL1167517 0.76 ERCC5 (0.58) —
SCHEMBL9202908 0.75 PLA2G2A (0.45) LTB4RPLA2G2ACYP4F2CYP4A11CYSLTR2
SCHEMBL9202903 0.75 PLA2G2A (0.45) LTB4RPLA2G2ACYP4F2CYP4A11CYSLTR2
SCHEMBL27467040 0.74 PLA2G2A (0.41) PLA2G2ACYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 — — WO disclosed
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