SCHEMBL18874186

SCHEMBL18874186

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.49
▸ MRGPRX4 Q96LA9 3/20 0.47
▸ PDE4A P27815 3/20 0.46
▸ PDE4B Q07343 3/20 0.46
▸ PDE4C Q08493 3/20 0.46
▸ PDE4D Q08499 3/20 0.46
▸ SIGMAR1 Q99720 4/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ C5AR1 P21730 1/20 0.41

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
SCHEMBL18874043 0.90 LPAR1 (0.48) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18874338 0.89 LPAR1 (0.47) LPAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL18873947 0.88 LPAR1 (0.47) LPAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL18874173 0.87 LPAR1 (0.46) LPAR1SIGMAR1MCHR1NPC1RAB9A
SCHEMBL18873914 0.86 POLB (0.48) LPAR1SIGMAR1POLB
SCHEMBL18874318 0.86 LPAR1 (0.46) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18873889 0.86 LPAR1 (0.46) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL1561364 0.86 LPAR1 (0.65) LPAR1MRGPRX4PDE4APDE4BPDE4C
SCHEMBL18874390 0.82 LPAR1 (0.51) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18874305 0.82 LPAR1 (0.51) LPAR1SIGMAR1NPC1RAB9AC5AR1

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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