SCHEMBL18874049

SCHEMBL18874049

COc1ccc2c(c1)CC(Nc1ccc(OC)c(OCCc3cccc(C)c3)c1)(C(=O)O)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.55
▸ CXCR5 P32302 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ MGAT2 Q10469 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL1560271 0.87 LPAR1 (0.70) LPAR1CXCR5SIGMAR1MTNR1AMTNR1B
SCHEMBL18873931 0.86 LPAR1 (0.53) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18873929 0.85 LPAR1 (0.55) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18874390 0.85 LPAR1 (0.51) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18874305 0.85 LPAR1 (0.51) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18874422 0.85 LPAR1 (0.51) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18874408 0.85 LPAR1 (0.51) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18874414 0.84 LPAR1 (0.51) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18873882 0.84 LPAR1 (0.56) LPAR1CXCR5SIRT2SIGMAR1
SCHEMBL18874036 0.84 LPAR1 (0.56) LPAR1CXCR5SIRT2POLB

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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