SCHEMBL16237902

SCHEMBL16237902

COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.83
CYP3A4 P08684 8/20 0.83
MEN1 O00255 7/20 0.83
KMT2A Q03164 7/20 0.83
TP53 P04637 6/20 0.83
MAPT P10636 6/20 0.83
HSD17B10 Q99714 6/20 0.83
ALDH1A1 P00352 6/20 0.83
HPGD P15428 5/20 0.83
LMNA P02545 3/20 0.83
CASP1 P29466 3/20 0.83
CASP7 P55210 3/20 0.83
MAPK1 P28482 4/20 0.71
ALOX15 P16050 4/20 0.71
ALOX12 P18054 3/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
ST6GAL1 P15907 1/20 0.71
CDK2 P24941 1/20 0.71

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
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL15676607 0.91 KDM4E (1.00) KDM4ECYP3A4MEN1KMT2ATP53
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL30139617 0.91 KDM4E (1.00) KDM4ECYP3A4MEN1KMT2ATP53
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL4285872 0.91 KDM4E (1.00) KDM4ECYP3A4MEN1KMT2ATP53
SCHEMBL15844041 0.90 KDM4E (0.83) KDM4ECYP3A4MEN1KMT2ATP53
SCHEMBL28610828 0.88 KDM4E (0.65) KDM4ECYP3A4MEN1KMT2ATP53
SCHEMBL4101098 0.86 ABCB1 (0.84) KDM4ECYP3A4MEN1KMT2ATP53
SCHEMBL14259686 0.86 TUBB4A (0.71) KDM4ECYP3A4MEN1KMT2ATP53
SCHEMBL12590664 0.85 MAPT (0.84) KDM4ECYP3A4MEN1KMT2ATP53
SCHEMBL31031153 0.85 KDM4E (0.80) KDM4ECYP3A4MEN1KMT2ATP53
SCHEMBL14764381 0.85 CYP1A1 (0.76) KDM4ECYP3A4MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999467-B1 USE OF A COMBINATION OF TWO COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF BONE DISORDERS INST NAT DE LA RECH AGRONOMIQUE INRA (FR) 2020-01-08 EP disclosed
EP-2999467-A1 USE OF A COMBINATION OF TWO COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF BONE DISORDERS Institut National De La Recherche Agronomique (INRA) (FR) 2016-03-30 EP disclosed
WO-2014184484-A1 USE OF A COMBINATION OF TWO COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF BONE DISORDERS INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE - INRA (FR) 2014-11-20 WO disclosed