SCHEMBL3455595

SCHEMBL3455595

Cc1nc(-c2c(OCc3ccc(C(F)(F)F)o3)cc[nH]c2=O)sc1C(=O)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.47
PPARA Q07869 6/20 0.45
PPARD Q03181 3/20 0.45
PPARG P37231 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3455045 0.92 SCD (0.57) SCDALDH1A1
SCHEMBL3454212 0.87 SMN1; SMN2 (0.39) SCDALDH1A1
SCHEMBL3455858 0.87 SCD (0.54) SCD
SCHEMBL3454226 0.87 PPARA (0.53) SCDPPARAPPARDPPARGALDH1A1
SCHEMBL3454426 0.85 SCD (0.45) SCDALDH1A1
SCHEMBL3455017 0.84 L3MBTL1 (0.47) SCDPPARAPPARDPPARG
SCHEMBL3456448 0.84 SCD (0.51) SCDPPARAPPARD
SCHEMBL3455023 0.84 SCD (0.51) SCDPPARAPPARD
SCHEMBL3454078 0.83 LMNA (0.41) ALDH1A1
SCHEMBL3460815 0.83 AKR1C3 (0.58) SCD

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