SCHEMBL3454098

SCHEMBL3454098

Cc1nc(-c2cc[nH]c(=O)c2O)sc1C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.58
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL3455677 0.87 SCD (0.60) SCDNPC1HPGDPPARDPPARA
SCHEMBL3455558 0.86 PPARA (0.55) SCDNPC1HPGDPPARDPPARA
SCHEMBL3454811 0.86 SCD (0.56) SCDNPC1HPGD
SCHEMBL3454995 0.85 SCD (0.58) SCDNPC1HPGD
SCHEMBL3454804 0.85 SCD (0.56) SCDNPC1HPGDPPARDPPARA
SCHEMBL3455389 0.85 SCD (0.53) SCDNPC1HPGDPPARDPPARA
SCHEMBL3454876 0.82 SCD (0.57) SCDNPC1HPGD
SCHEMBL3455438 0.82 PPARD (0.54) SCDNPC1HPGDPPARDPPARA
SCHEMBL3455044 0.82 SCD (0.58) SCDNPC1HPGD
SCHEMBL3454229 0.81 SCD (0.55) SCDNPC1HPGDPPARA

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