SCHEMBL18874419

SCHEMBL18874419

COc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1scnc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ LPAR1 Q92633 5/20 0.38
▸ C5 P01031 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 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
SCHEMBL1561377 0.86 LPAR1 (0.53) HPGDLPAR1NPC1RAB9A
SCHEMBL18874043 0.79 LPAR1 (0.48) LPAR1NPC1RAB9APOLB
SCHEMBL18874338 0.78 LPAR1 (0.47) LPAR1NPC1RAB9APOLB
SCHEMBL18874186 0.78 LPAR1 (0.49) LPAR1NPC1RAB9APOLB
SCHEMBL18873889 0.78 LPAR1 (0.46) LPAR1ALDH1A1NPC1RAB9APOLB
SCHEMBL18873939 0.78 CHEK1 (0.41) HPGDLPAR1C5ALDH1A1PPARG
SCHEMBL18873947 0.78 LPAR1 (0.47) LPAR1NPC1RAB9APOLB
SCHEMBL18874194 0.77 LPAR1 (0.60) LPAR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL18874173 0.77 LPAR1 (0.46) LPAR1C5NPC1RAB9APOLB
SCHEMBL18873914 0.76 POLB (0.48) LPAR1ALDH1A1POLB

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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