SCHEMBL18874159

SCHEMBL18874159

CCc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ CXCR5 P32302 8/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ C5AR1 P21730 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 0.90 LPAR1 (0.56) LPAR1SIRT2CXCR5POLBC5AR1
SCHEMBL18874189 0.90 LPAR1 (0.58) LPAR1SIRT2CXCR5NPC1POLB
SCHEMBL18873905 0.89 LPAR1 (0.57) LPAR1SIRT2CXCR5NPC1POLB
SCHEMBL18874199 0.89 LPAR1 (0.57) LPAR1SIRT2CXCR5NPC1POLB
SCHEMBL18873882 0.88 LPAR1 (0.56) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18873861 0.87 LPAR1 (0.75) LPAR1SIRT2CXCR5NPC1POLB
SCHEMBL18874205 0.87 LPAR1 (0.56) LPAR1SIRT2FFAR4C5AR1
SCHEMBL18874045 0.87 LPAR1 (0.56) LPAR1SIRT2CXCR5NPC1POLB
SCHEMBL18873898 0.87 LPAR1 (0.56) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18874171 0.86 LPAR1 (0.55) LPAR1SIRT2CXCR5C5AR1

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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