SCHEMBL18874171

SCHEMBL18874171

Cc1cccc(CCOc2cc(NC3(C(=O)O)Cc4ccccc4C3)ccc2C(C)O)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.55
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CXCR5 P32302 7/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ C5AR1 P21730 1/20 0.36
▸ MCHR1 Q99705 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 0.89 LPAR1 (0.56) LPAR1MAPTKMT2AALDH1A1CXCR5
SCHEMBL18873882 0.87 LPAR1 (0.56) LPAR1CXCR5SIRT2C5AR1MCHR1
SCHEMBL18874189 0.87 LPAR1 (0.58) LPAR1KMT2ACXCR5SIRT2MEN1
SCHEMBL18873934 0.87 LPAR1 (0.54) LPAR1MAPTKMT2ACXCR5SIRT2
SCHEMBL18874205 0.86 LPAR1 (0.56) LPAR1SIRT2C5AR1
SCHEMBL18874199 0.86 LPAR1 (0.57) LPAR1ALDH1A1CXCR5SIRT2C5AR1
SCHEMBL18873905 0.86 LPAR1 (0.57) LPAR1CXCR5SIRT2C5AR1
SCHEMBL18874159 0.86 LPAR1 (0.57) LPAR1CXCR5SIRT2C5AR1
SCHEMBL1561173 0.86 LPAR1 (0.74) LPAR1CXCR5
SCHEMBL18873898 0.85 LPAR1 (0.56) LPAR1KMT2ACXCR5SIRT2MEN1

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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