SCHEMBL3455386

SCHEMBL3455386

Cc1nc(-c2c(O)cc[nH]c2=O)sc1C(=O)NCCC1CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.56
CHRM4 P08173 3/20 0.48
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
PPARA Q07869 1/20 0.36
PPARD Q03181 1/20 0.35

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
SCHEMBL3455448 0.80 SCD (0.58) SCDNPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL3454995 0.80 SCD (0.58) SCDNPC1HPGD
SCHEMBL3454983 0.79 SCD (0.48) SCDCHRM4NPC1HPGDPPARA
SCHEMBL3454598 0.78 SCD (0.56) SCDCHRM4MAPTPPARAPPARD
SCHEMBL3455543 0.78 SCD (0.51) SCDNPC1HPGDPPARA
SCHEMBL3454096 0.77 SMN1; SMN2 (0.51) NPC1HPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL3454999 0.76 SCD (0.59) SCDCHRM4PPARAPPARD
SCHEMBL3455532 0.75 SCD (0.60) SCDCHRM4
SCHEMBL3478653 0.75 SCD (0.59) SCDCHRM4
SCHEMBL3454216 0.74 CDC7 (0.54) NPC1HPGDALDH1A1GAAMAPT

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