SCHEMBL3455558

SCHEMBL3455558

Cc1nc(-c2cc[nH]c(=O)c2C(F)(F)F)sc1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.55
PPARD Q03181 3/20 0.55
SCD O00767 11/20 0.54
PPARG P37231 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 0.86 SCD (0.58) PPARAPPARDSCDNPC1HPGD
SCHEMBL3454189 0.85 PPARA (0.55) PPARAPPARDSCDPPARGNPC1
SCHEMBL3455677 0.84 SCD (0.60) PPARAPPARDSCDNPC1HPGD
SCHEMBL3454811 0.82 SCD (0.56) SCDNPC1HPGD
SCHEMBL3454540 0.82 SCD (0.57) PPARAPPARDSCDPPARG
SCHEMBL3454804 0.82 SCD (0.56) PPARAPPARDSCDNPC1HPGD
SCHEMBL3455389 0.82 SCD (0.53) PPARAPPARDSCDNPC1HPGD
SCHEMBL3454995 0.80 SCD (0.58) SCDNPC1HPGD
SCHEMBL3454876 0.79 SCD (0.57) SCDNPC1HPGD
SCHEMBL3455438 0.79 PPARD (0.54) PPARAPPARDSCDNPC1HPGD

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