SCHEMBL18873947

SCHEMBL18873947

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.47
▸ SIGMAR1 Q99720 5/20 0.43
▸ C5AR1 P21730 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ EBP Q15125 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL18874338 0.92 LPAR1 (0.47) LPAR1SIGMAR1C5AR1NPC1RAB9A
SCHEMBL18874043 0.89 LPAR1 (0.48) LPAR1SIGMAR1C5AR1NPC1RAB9A
SCHEMBL18874186 0.88 LPAR1 (0.49) LPAR1SIGMAR1C5AR1NPC1RAB9A
SCHEMBL18874318 0.88 LPAR1 (0.46) LPAR1SIGMAR1C5AR1NPC1RAB9A
SCHEMBL18873914 0.88 POLB (0.48) LPAR1SIGMAR1POLB
SCHEMBL18874173 0.86 LPAR1 (0.46) LPAR1SIGMAR1C5AR1NPC1RAB9A
SCHEMBL18873889 0.86 LPAR1 (0.46) LPAR1SIGMAR1C5AR1NPC1RAB9A
SCHEMBL1560903 0.86 LPAR1 (0.63) LPAR1SIGMAR1NPC1RAB9APDE4A
SCHEMBL18874305 0.83 LPAR1 (0.51) LPAR1SIGMAR1C5AR1NPC1RAB9A
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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