SCHEMBL3454229

SCHEMBL3454229

COc1cc[nH]c(=O)c1-c1nc(C)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.55
PPARA Q07869 1/20 0.49
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL3455689 0.90 SCD (0.53) SCDPPARANPC1HPGD
SCHEMBL3455858 0.90 SCD (0.54) SCDNPC1HPGD
SCHEMBL3454191 0.90 RECQL (0.51) SCD
SCHEMBL3454785 0.88 SCD (0.43) SCDPPARANPC1HPGD
SCHEMBL3454214 0.88 SCD (0.49) SCD
SCHEMBL3454995 0.87 SCD (0.58) SCDNPC1HPGD
SCHEMBL3454095 0.86 SCD (0.50) SCDNPC1HPGD
SCHEMBL3455615 0.86 SCD (0.52) SCDPPARA
SCHEMBL3454876 0.86 SCD (0.57) SCDNPC1HPGD
SCHEMBL3455023 0.86 SCD (0.51) SCDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed