SCHEMBL14326164

SCHEMBL14326164

CCOC(=O)c1cc2c(C)cc(OC)cc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.65
KDM4E B2RXH2 4/20 0.65
GLA P06280 4/20 0.65
GAA P10253 4/20 0.65
HPGD P15428 4/20 0.65
ALDH1A1 P00352 3/20 0.65
CA12 O43570 2/20 0.65
CA2 P00918 2/20 0.65
CA3 P07451 2/20 0.65
CA4 P22748 2/20 0.65
CA6 P23280 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA14 Q9ULX7 2/20 0.65
MAOA P21397 3/20 0.51
MIF P14174 1/20 0.51
PFKFB3 Q16875 1/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL9989019 0.88 MAOB (0.54) MAOBKDM4EGLAGAAHPGD
SCHEMBL12045958 0.85 KDM4E (0.57) MAOBKDM4EGLAGAAHPGD
SCHEMBL6109694 0.84 MIF (0.64) MAOBKDM4EGLAGAAHPGD
SCHEMBL1406253 0.83 SLC16A3 (0.59) MAOBKDM4EGLAGAAHPGD
SCHEMBL14326438 0.82 CA12 (0.62) MAOBKDM4EGLAGAAHPGD
SCHEMBL13432123 0.80 MAOB (0.67) MAOBKDM4EGLAGAAHPGD
SCHEMBL1406462 0.79 MAOB (1.00) MAOBKDM4EGLAGAAHPGD
SCHEMBL2031783 0.76 MAOB (1.00) MAOBKDM4EGLAGAAHPGD
SCHEMBL16267284 0.76 MIF (0.64) MAOBKDM4EGLAGAAHPGD
SCHEMBL16418951 0.75 MAOB (0.51) MAOBKDM4EGLAGAAHPGD

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
US-8338401-B2 Coumarin-amide derivatives and its preparation, said drug composition and its use INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-12-25 US disclosed