SCHEMBL3455017

SCHEMBL3455017

Cc1cc(CNC(=O)c2sc(-c3c(OCc4ccccc4)cc[nH]c3=O)nc2C)c(C(F)(F)F)o1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SCD O00767 11/20 0.44
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
PPARG P37231 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3455858 0.86 SCD (0.54) SCDNPC1HPGD
SCHEMBL3454226 0.86 PPARA (0.53) SCDPPARAPPARDPPARGNPC1
SCHEMBL3454426 0.86 SCD (0.45) SCDNPC1HPGD
SCHEMBL3455556 0.85 SCD (0.46) SCDNPC1HPGD
SCHEMBL3454094 0.84 SCD (0.46) SCDNPC1HPGD
SCHEMBL3455680 0.84 SCD (0.46) SCDNPC1HPGD
SCHEMBL3455595 0.84 SCD (0.47) SCDPPARAPPARDPPARG
SCHEMBL3456448 0.83 SCD (0.51) L3MBTL1SCDPPARAPPARD
SCHEMBL3455023 0.83 SCD (0.51) L3MBTL1SCDPPARAPPARD
SCHEMBL3454273 0.83 SCD (0.50) SCDPPARAPPARD

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