SCHEMBL8058674

SCHEMBL8058674

Bc1ccc(N(C=O)CC(C)=O)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 5/20 0.33
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
BLM P54132 1/20 0.31
PAX8 Q06710 1/20 0.31
FGFR1 P11362 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL12157436 0.84 HPGD (0.41) GAAALDH1A1LMNAL3MBTL1MEN1
SCHEMBL6122746 0.83 AR (0.34) GAAKEAP1NFE2L2CYP3A4ALDH1A1
SCHEMBL3973298 0.83 TSHR (0.39) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL2821543 0.82 TSHR (0.50) GAAALDH1A1PKMLMNACA1
SCHEMBL156311 0.81 MAPT (0.47) CYP3A4ALDH1A1PKMLMNACA1
SCHEMBL18504886 0.79 ALDH1A1 (0.47) CYP3A4ALDH1A1PKMLMNAL3MBTL1
SCHEMBL22324638 0.71 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL17723416 0.70 APOBEC3A (0.35) GAAALDH1A1PKMLMNAMEN1
SCHEMBL13612949 0.69 KDM4E (0.39) GAAALDH1A1ALOX15LMNAMEN1
SCHEMBL3156748 0.68 TDP1 (0.36) ALDH1A1LMNAMEN1KMT2AHPGD

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-2009076352-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-18 WO disclosed