SCHEMBL18874040

SCHEMBL18874040

COC(=O)C1(Nc2ccc(OC)c(OCCc3cccc(SC)c3)c2)Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ SIGMAR1 Q99720 4/20 0.40
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 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
SCHEMBL18874390 0.88 LPAR1 (0.51) LPAR1SIGMAR1NPC1RAB9A
SCHEMBL1561307 0.86 LPAR1 (0.60) LPAR1SMN1; SMN2SIGMAR1MAPTNPC1
SCHEMBL18874395 0.82 LPAR1 (0.66) LPAR1MAPTMEN1KMT2A
SCHEMBL18874305 0.81 LPAR1 (0.51) LPAR1SIGMAR1NPC1RAB9A
SCHEMBL18874043 0.81 LPAR1 (0.48) LPAR1SIGMAR1NPC1RAB9A
SCHEMBL1561576 0.81 LPAR1 (0.69) LPAR1SMN1; SMN2STAT3SIGMAR1MAPT
SCHEMBL18874338 0.80 LPAR1 (0.47) LPAR1SIGMAR1NPC1RAB9A
SCHEMBL18874186 0.80 LPAR1 (0.49) LPAR1SIGMAR1NPC1RAB9A
SCHEMBL18873947 0.79 LPAR1 (0.47) LPAR1SIGMAR1KMT2ANPC1RAB9A
SCHEMBL18874173 0.79 LPAR1 (0.46) LPAR1SIGMAR1NPC1RAB9A

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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