SCHEMBL18874408

SCHEMBL18874408

COc1ccc(NC2(C(=O)O)Cc3cccc(Cl)c3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.51
▸ POLB P06746 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ ALOX5 P09917 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
SCHEMBL18873931 0.92 LPAR1 (0.53) LPAR1POLBSIGMAR1SIRT2NPC1
SCHEMBL18874422 0.90 LPAR1 (0.51) LPAR1POLBSIGMAR1SIRT2NPC1
SCHEMBL1560250 0.87 LPAR1 (0.67) LPAR1SIGMAR1NPC1RAB9AHDAC1
SCHEMBL18874414 0.86 LPAR1 (0.51) LPAR1POLBSIGMAR1SIRT2NPC1
SCHEMBL18874049 0.85 LPAR1 (0.55) LPAR1POLBSIGMAR1SIRT2NPC1
SCHEMBL18873929 0.84 LPAR1 (0.55) LPAR1POLBSIGMAR1SIRT2NPC1
SCHEMBL18874305 0.83 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874390 0.83 LPAR1 (0.51) LPAR1POLBSIGMAR1SIRT2NPC1
SCHEMBL18873882 0.83 LPAR1 (0.56) LPAR1SIGMAR1SIRT2C5AR1
SCHEMBL18874036 0.83 LPAR1 (0.56) LPAR1POLBSIRT2ALDH1A1SMN1; SMN2

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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