SCHEMBL13619445

SCHEMBL13619445

COC(=O)c1ccc([C@H](C)NC(C)=O)c([N+](=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.42
ACACB O00763 1/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 6/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HPGD P15428 4/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL1075938 0.88 VCAM1 (0.53) VCAM1KMT2AALDH1A1KDM4EMEN1
SCHEMBL1075935 0.88 VCAM1 (0.53) VCAM1KMT2AALDH1A1KDM4EMEN1
SCHEMBL1076592 0.80 ALDH1A1 (0.54) ACACBKMT2AALDH1A1CA12CA1
SCHEMBL1076812 0.79 BDKRB1 (0.45) ACACBKMT2AALDH1A1CA12CA1
SCHEMBL1076559 0.79 KDM4E (0.54) ACACBALDH1A1CA12CA1CA2
SCHEMBL28795052 0.79 KDM4E (0.54) ACACBALDH1A1CA12CA1CA2
SCHEMBL6560138 0.74 HCAR3 (0.57) KMT2AMEN1LMNA
SCHEMBL21932200 0.74 VCAM1 (0.56) VCAM1KMT2AALDH1A1MEN1HPGD
SCHEMBL14735881 0.74 HCAR3 (0.57) KMT2AMEN1LMNA
SCHEMBL6560146 0.74 HCAR3 (0.57) KMT2AMEN1LMNA

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-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO disclosed