SCHEMBL18873898

SCHEMBL18873898

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ CYP19A1 P11511 4/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CXCR5 P32302 3/20 0.36
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LTB4R Q15722 1/20 0.35
▸ LTB4R2 Q9NPC1 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 0.88 LPAR1 (0.58) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18874159 0.87 LPAR1 (0.57) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18873905 0.87 LPAR1 (0.57) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18874199 0.87 LPAR1 (0.57) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18873882 0.86 LPAR1 (0.56) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18874036 0.86 LPAR1 (0.56) LPAR1SIRT2CXCR5MEN1KMT2A
SCHEMBL1560860 0.86 LPAR1 (0.75) LPAR1CXCR5
SCHEMBL18873861 0.85 LPAR1 (0.75) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18874205 0.85 LPAR1 (0.56) LPAR1SIRT2
SCHEMBL18874045 0.85 LPAR1 (0.56) LPAR1SIRT2CXCR5CHRM5CHRM1

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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