SCHEMBL3454804

SCHEMBL3454804

Cc1nc(-c2cc[nH]c(=O)c2OCc2ccccc2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.56
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL3454098 0.85 SCD (0.58) SCDPPARDPPARANPC1HPGD
SCHEMBL3455858 0.85 SCD (0.54) SCDNPC1HPGD
SCHEMBL3455677 0.83 SCD (0.60) SCDPPARDPPARANPC1HPGD
SCHEMBL3455616 0.82 SCD (0.57) SCDPPARDPPARANPC1HPGD
SCHEMBL3455558 0.82 PPARA (0.55) SCDPPARDPPARANPC1HPGD
SCHEMBL3454811 0.82 SCD (0.56) SCDNPC1HPGD
SCHEMBL3455389 0.81 SCD (0.53) SCDPPARDPPARANPC1HPGD
SCHEMBL3455023 0.81 SCD (0.51) SCDPPARDPPARA
SCHEMBL3456448 0.81 SCD (0.51) SCDPPARDPPARA
SCHEMBL3455044 0.80 SCD (0.58) SCDNPC1HPGD

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