SCHEMBL18874173

SCHEMBL18874173

COc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc([S+](C)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.46
▸ SIGMAR1 Q99720 5/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ C5AR1 P21730 1/20 0.39
▸ EBP Q15125 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ C5 P01031 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37

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 0.88 LPAR1 (0.48) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18874338 0.87 LPAR1 (0.47) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18874186 0.87 LPAR1 (0.49) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL1561332 0.87 LPAR1 (0.61) LPAR1SIGMAR1NPC1RAB9A
SCHEMBL18873947 0.86 LPAR1 (0.47) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18873914 0.85 POLB (0.48) LPAR1SIGMAR1POLB
SCHEMBL18874318 0.85 LPAR1 (0.46) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18873889 0.85 LPAR1 (0.46) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL18874299 0.83 LPAR1 (0.54) LPAR1NPC1RAB9APOLBC5AR1
SCHEMBL18874390 0.81 LPAR1 (0.51) 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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