SCHEMBL7378573

SCHEMBL7378573

CCCc1cccc2c(=O)c(OC)c(-c3ccccc3)oc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.62
ABCC1 P33527 3/20 0.62
CYP1A1 P04798 2/20 0.56
CYP1B1 Q16678 2/20 0.56
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
CYP3A4 P08684 4/20 0.55
HSD17B10 Q99714 4/20 0.55
HPGD P15428 3/20 0.55
CYP2C9 P11712 3/20 0.55
TSHR P16473 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2D6 P10635 2/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL12835497 0.86 ABCG2 (0.60) ABCG2ABCC1CYP1A1CYP1B1CYP1A2
SCHEMBL7374619 0.80 ABCG2 (0.69) ABCG2ABCC1CYP1A1CYP1B1CYP1A2
SCHEMBL4282126 0.80 ABCG2 (0.69) ABCG2ABCC1CYP1A1CYP1B1CYP1A2
SCHEMBL8875406 0.77 ABCG2 (0.64) ABCG2ABCC1CYP1A1CYP1B1CYP1A2
SCHEMBL18243048 0.76 KDM4E (0.64) KDM4EALDH1A1MAPTCYP3A4HSD17B10
SCHEMBL29993383 0.75 ABCG2 (1.00) ABCG2ABCC1CYP1A1CYP1B1KDM4E
SCHEMBL253523 0.75 ABCG2 (1.00) ABCG2ABCC1CYP1A1CYP1B1KDM4E
SCHEMBL8876891 0.75 ABCG2 (0.62) ABCG2ABCC1CYP1A1CYP1B1CYP1A2
SCHEMBL8876901 0.75 ABCG2 (0.62) ABCG2ABCC1CYP1A1CYP1B1CYP1A2
SCHEMBL31234378 0.75 KDM4E (0.52) ABCG2ABCC1CYP1A1CYP1B1CYP1A2

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
EP-1115718-A1 HYDROXYFLAVONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000017184-A1 HYDROXYFLAVONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-30 WO disclosed