SCHEMBL8934643

SCHEMBL8934643

COc1cccc2c(=O)cc(-c3cc(Cl)ccc3O)oc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
HPGD P15428 4/20 0.65
CYP3A4 P08684 3/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HSD17B10 Q99714 2/20 0.65
CSNK2A2 P19784 6/20 0.51
CSNK2B P67870 6/20 0.51
CSNK2A1 P68400 6/20 0.51
CYP1A1 P04798 4/20 0.51
CYP1A2 P05177 4/20 0.51
CYP1B1 Q16678 4/20 0.51
TERT O14746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL8934573 0.82 POLH (0.62) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822869 0.82 MAPT (0.56) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21823009 0.81 MAPT (0.57) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL30660113 0.81 MAPT (0.57) ALDH1A1HPGDCYP3A4MAPTKDM4E
8,2'-Dimethoxyflavone SCHEMBL516353 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822938 0.79 MAPT (0.49) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822918 0.78 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822985 0.78 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822990 0.78 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822809 0.78 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed