SCHEMBL18874305

SCHEMBL18874305

COc1ccc(NC2(C(N)=O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIGMAR1 Q99720 4/20 0.42
▸ MPI P34949 1/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ C5AR1 P21730 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL18874390 0.93 LPAR1 (0.51) LPAR1SIRT2SIGMAR1ALOX5HDAC1
SCHEMBL1561405 0.85 LPAR1 (0.67) LPAR1SIRT2SIGMAR1MPIHDAC1
SCHEMBL18873931 0.85 LPAR1 (0.53) LPAR1SIRT2SIGMAR1ALOX5C5AR1
SCHEMBL18874049 0.85 LPAR1 (0.55) LPAR1SIRT2SIGMAR1ALOX5NPC1
SCHEMBL18874036 0.84 LPAR1 (0.56) LPAR1SIRT2C5AR1
SCHEMBL18873882 0.84 LPAR1 (0.56) LPAR1SIRT2SIGMAR1C5AR1
SCHEMBL18874338 0.84 LPAR1 (0.47) LPAR1SIGMAR1C5AR1NPC1RAB9A
SCHEMBL18873947 0.83 LPAR1 (0.47) LPAR1SIGMAR1C5AR1NPC1RAB9A
SCHEMBL18874205 0.83 LPAR1 (0.56) LPAR1SIRT2C5AR1
SCHEMBL18874422 0.83 LPAR1 (0.51) LPAR1SIRT2SIGMAR1ALOX5HDAC1

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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