SCHEMBL14950587

SCHEMBL14950587

CCOC(=O)c1sc2[nH]c(=O)n(CC(=O)O)c(=O)c2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
ALDH1A1 P00352 6/20 0.44
ADORA2B P29275 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
CYP1A2 P05177 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5032099 0.89 MAPT (0.47) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14945613 0.85 KMT2A (0.55) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14945512 0.85 KMT2A (0.43) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL23479896 0.83 POLB (0.48) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL18097001 0.83 MAPT (0.43) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL5132782 0.83 MAPT (0.43) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL5133464 0.82 MAPT (0.48) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14945486 0.82 MAPT (0.44) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL14948696 0.80 ADORA2B (0.43) KMT2AMEN1MAPTRXFP1PPARG
SCHEMBL18096859 0.79 MAPT (0.45) KMT2AMEN1MAPTRXFP1PPARG

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-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed