SCHEMBL18155873

SCHEMBL18155873

CCc1c(O)ccc2c(C)cc(=O)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
GAA P10253 4/20 0.67
ALDH1A1 P00352 3/20 0.67
MAOB P27338 3/20 0.67
MAPK1 P28482 3/20 0.67
MAPT P10636 2/20 0.67
MCL1 Q07820 2/20 0.67
MGAM O43451 1/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
SI P14410 1/20 0.67
ALOX15 P16050 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
ERAP1 Q9NZ08 4/20 0.66
KMT2A Q03164 1/20 0.65
HPGD P15428 3/20 0.64
GLA P06280 2/20 0.64
HSD17B10 Q99714 4/20 0.63
GFER P55789 1/20 0.63

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
SCHEMBL11079352 0.88 GAA (0.63) KDM4EGAAALDH1A1MAOBMAPK1
SCHEMBL6156306 0.84 ESR1 (0.55) KDM4EGAAALDH1A1MAOBMAPK1
SCHEMBL7001521 0.84 MAOA (0.63) KDM4EGAAALDH1A1MAOBMAPK1
SCHEMBL3878331 0.82 CA9 (0.65) KDM4EGAAALDH1A1MAOBMAPK1
SCHEMBL11440831 0.81 GAA (0.59) KDM4EGAAALDH1A1MAOBMAPK1
SCHEMBL14756049 0.81 GAA (0.70) KDM4EGAAALDH1A1MAOBMCL1
SCHEMBL4187220 0.80 MAOB (1.00) KDM4EGAAALDH1A1MAOBMAPK1
4-Methyldaphnetin SCHEMBL29671915 0.80 MCL1 (1.00) KDM4EGAAALDH1A1MAOBMAPK1
4-Methyldaphnetin SCHEMBL1065373 0.80 MCL1 (1.00) KDM4EGAAALDH1A1MAOBMAPK1
SCHEMBL109411 0.79 ALDH1A1 (0.72) KDM4EGAAALDH1A1MAOBMAPK1

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
EP-2295053-B1 Novel 2H-chromen-2-one-3-carboxamides for medical uses INST MATERIA MEDICA CAMS (CN) 2016-10-19 EP disclosed