SCHEMBL18873939

SCHEMBL18873939

CCc1ccc(CCOc2cc(NC3(C(=O)O)Cc4ccccc4C3)ccc2OC)nc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.41
▸ HPGD P15428 1/20 0.39
▸ LPAR1 Q92633 5/20 0.38
▸ C5 P01031 2/20 0.38
▸ SIGMAR1 Q99720 3/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL1561524 0.86 LPAR1 (0.53) CHEK1LPAR1NPC1RAB9A
SCHEMBL18874043 0.80 LPAR1 (0.48) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18874186 0.79 LPAR1 (0.49) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18874338 0.79 LPAR1 (0.47) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18873947 0.79 LPAR1 (0.47) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18874173 0.78 LPAR1 (0.46) LPAR1C5SIGMAR1NPC1RAB9A
SCHEMBL18874419 0.78 HPGD (0.39) CHEK1HPGDLPAR1C5PPARG
SCHEMBL18873914 0.77 POLB (0.48) LPAR1SIGMAR1POLBALDH1A1
SCHEMBL18874318 0.77 LPAR1 (0.46) LPAR1C5SIGMAR1NPC1RAB9A
SCHEMBL18873889 0.77 LPAR1 (0.46) LPAR1SIGMAR1NPC1RAB9APOLB

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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