SCHEMBL21683005

SCHEMBL21683005

CCC(=O)Oc1c(O)ccc2c(=O)cc(-c3ccccc3)oc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
HPGD P15428 5/20 0.60
CYP19A1 P11511 5/20 0.60
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 4/20 0.60
TP53 P04637 4/20 0.60
HSD17B10 Q99714 4/20 0.60
MAPK1 P28482 3/20 0.60
TERT O14746 3/20 0.60
ALOX15 P16050 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
IKBKB O14920 1/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
KMT2A Q03164 1/20 0.60
NTRK2 Q16620 1/20 0.60
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54

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
SCHEMBL15668252 0.88 MAPT (0.57) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL30343625 0.88 MAPT (0.57) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL21683000 0.88 CYP19A1 (0.60) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL21682931 0.88 MAPT (0.56) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL21683060 0.88 MAPT (0.56) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL21683039 0.87 CYP19A1 (0.58) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL6615809 0.87 MAPT (0.64) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL21682940 0.87 CYP19A1 (0.67) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL21682943 0.87 CYP19A1 (0.67) MAPTHPGDCYP19A1KDM4EALDH1A1
SCHEMBL21682993 0.85 MAPT (0.56) MAPTHPGDCYP19A1KDM4EALDH1A1

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
WO-2020033960-A1 Substituted Dihydroxyflavone Derivatives, Compositions, and Methods Related Thereto EMORY UNIVERSITY (US) 2020-02-13 WO disclosed