SCHEMBL18873931

SCHEMBL18873931

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.53
▸ SIGMAR1 Q99720 2/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ C5AR1 P21730 1/20 0.36
▸ C5 P01031 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL18874408 0.92 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874422 0.92 LPAR1 (0.51) LPAR1SIGMAR1SIRT2PDE4DNPC1
SCHEMBL1560906 0.86 LPAR1 (0.69) LPAR1SIGMAR1PDE4APDE4BPDE4C
SCHEMBL18874049 0.86 LPAR1 (0.55) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18873929 0.85 LPAR1 (0.55) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874305 0.85 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874390 0.85 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18874414 0.84 LPAR1 (0.51) LPAR1SIGMAR1SIRT2NPC1RAB9A
SCHEMBL18873882 0.84 LPAR1 (0.56) LPAR1SIGMAR1SIRT2FFAR4C5AR1
SCHEMBL18874036 0.84 LPAR1 (0.56) LPAR1SIRT2POLBC5AR1MAPT

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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