SCHEMBL18874199

SCHEMBL18874199

Cc1cccc(CCOc2cc(NC3(C(=O)O)Cc4ccccc4C3)ccc2N)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ C5AR1 P21730 2/20 0.37
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CXCR5 P32302 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ GPR132 Q9UNW8 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ GRM3 Q14832 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) LPAR1SIRT2C5AR1CHRM5CHRM1
SCHEMBL18873905 0.89 LPAR1 (0.57) LPAR1SIRT2C5AR1CHRM5CHRM1
SCHEMBL18874159 0.89 LPAR1 (0.57) LPAR1SIRT2C5AR1CHRM5CHRM1
SCHEMBL18874410 0.88 LPAR1 (0.55) LPAR1SIRT2CHRM5CHRM1CXCR5
SCHEMBL18874036 0.88 LPAR1 (0.56) LPAR1SIRT2C5AR1CXCR5ALDH1A1
SCHEMBL18873882 0.88 LPAR1 (0.56) LPAR1SIRT2C5AR1CHRM5CHRM1
SCHEMBL18873861 0.87 LPAR1 (0.75) LPAR1SIRT2C5AR1CHRM5CHRM1
SCHEMBL18874205 0.87 LPAR1 (0.56) LPAR1SIRT2C5AR1FFAR4
SCHEMBL18873898 0.87 LPAR1 (0.56) LPAR1SIRT2CHRM5CHRM1CXCR5
SCHEMBL18874045 0.87 LPAR1 (0.56) 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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