SCHEMBL3719359

SCHEMBL3719359

O=C[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.62
PPARG P37231 4/20 0.55
PPARA Q07869 2/20 0.54
CTSB P07858 2/20 0.54
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
GSK3B P49841 1/20 0.53
BACE1 P56817 1/20 0.53
LTA4H P09960 2/20 0.52
BCHE P06276 1/20 0.51
LAP3 P28838 1/20 0.51
GPR34 Q9UPC5 1/20 0.51

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
SCHEMBL20529415 1.00 CAPN1 (0.62) CAPN1PPARGPPARACTSBFFAR1
SCHEMBL12475011 0.87 CTSB (0.59) CAPN1PPARGCTSBLTA4H
SCHEMBL17865652 0.85 CAPN1 (0.61) CAPN1CTSB
SCHEMBL3292711 0.85 CAPN1 (0.61) CAPN1CTSB
SCHEMBL2369340 0.85 CAPN1 (0.61) CAPN1CTSB
SCHEMBL2293365 0.85 CAPN1 (0.53) CAPN1PPARGPPARACTSBFFAR1
SCHEMBL272162 0.84 BCL2 (0.56) CAPN1PPARGPPARACTSBLTA4H
SCHEMBL4460974 0.84 BCL2 (0.56) CAPN1PPARGPPARACTSBLTA4H
SCHEMBL5353421 0.84 BCL2 (0.56) CAPN1PPARGPPARACTSBLTA4H
SCHEMBL9069670 0.82 CTSK (0.61) CAPN1PPARGCTSBLTA4H

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
WO-2010135424-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-11-25 WO disclosed