SCHEMBL18873905

SCHEMBL18873905

Cc1cccc(CCOc2cc(NC3(C(=O)O)Cc4ccccc4C3)ccc2Br)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CXCR5 P32302 4/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ C5AR1 P21730 1/20 0.35
▸ GPR132 Q9UNW8 1/20 0.35

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
SCHEMBL18874189 0.90 LPAR1 (0.58) LPAR1SIRT2CHRM5CHRM1CXCR5
SCHEMBL18874199 0.89 LPAR1 (0.57) LPAR1SIRT2KDM4ECHRM5CHRM1
SCHEMBL18874159 0.89 LPAR1 (0.57) LPAR1SIRT2CHRM5CHRM1CXCR5
SCHEMBL18873882 0.88 LPAR1 (0.56) LPAR1SIRT2LRRK2CHRM5CHRM1
SCHEMBL18874036 0.88 LPAR1 (0.56) LPAR1SIRT2THRBCXCR5POLB
SCHEMBL18873898 0.87 LPAR1 (0.56) LPAR1SIRT2CHRM5CHRM1CXCR5
SCHEMBL18874205 0.87 LPAR1 (0.56) LPAR1SIRT2FFAR4C5AR1
SCHEMBL18874045 0.87 LPAR1 (0.56) LPAR1SIRT2CHRM5CHRM1CXCR5
SCHEMBL18873861 0.87 LPAR1 (0.75) LPAR1SIRT2CHRM5CHRM1CXCR5
SCHEMBL18874410 0.86 LPAR1 (0.55) LPAR1SIRT2CHRM5CHRM1CXCR5

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
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
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