SCHEMBL18873882

SCHEMBL18873882

Cc1cccc(CCOc2cc(NC3(C(=O)O)Cc4ccccc4C3)ccc2OCCO)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.56
▸ C5AR1 P21730 4/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CXCR5 P32302 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ KDR P35968 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
SCHEMBL18874036 0.93 LPAR1 (0.56) LPAR1C5AR1SIRT2CXCR5
SCHEMBL18874205 0.92 LPAR1 (0.56) LPAR1C5AR1SIRT2FFAR4
SCHEMBL18874189 0.89 LPAR1 (0.58) LPAR1C5AR1SIRT2CHRM5CHRM1
SCHEMBL18874199 0.88 LPAR1 (0.57) LPAR1C5AR1SIRT2CHRM5CHRM1
SCHEMBL18874159 0.88 LPAR1 (0.57) LPAR1C5AR1SIRT2CHRM5CHRM1
SCHEMBL18873905 0.88 LPAR1 (0.57) LPAR1C5AR1SIRT2CHRM5CHRM1
SCHEMBL18874171 0.87 LPAR1 (0.55) LPAR1C5AR1SIRT2MCHR1CXCR5
SCHEMBL18873898 0.86 LPAR1 (0.56) LPAR1SIRT2CHRM5CHRM1CXCR5
SCHEMBL18873861 0.86 LPAR1 (0.75) LPAR1C5AR1SIRT2CHRM5CHRM1
SCHEMBL18874045 0.86 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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