SCHEMBL4725052

SCHEMBL4725052

COc1ccc2c(c1)OC(O)C(c1ccc(O)cc1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.59
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
CYP2C19 P33261 1/20 0.50
MAOB P27338 4/20 0.48
CYP3A4 P08684 1/20 0.48
CBS P35520 1/20 0.46
ALDH1A1 P00352 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAS2R31 P59538 1/20 0.44

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
SCHEMBL4804016 0.92 ESR1 (0.58) CYP19A1ESR1ESR2SMN1; SMN2LMNA
SCHEMBL30555701 0.85 ESR2 (0.73) CYP19A1ESR1ESR2MAOB
SCHEMBL571732 0.85 ESR2 (0.73) CYP19A1ESR1ESR2MAOB
SCHEMBL2029052 0.85 ESR2 (0.73) CYP19A1ESR1ESR2MAOB
SCHEMBL14124895 0.78 ESR2 (0.55) CYP19A1ESR1ESR2CYP3A4MAPT
SCHEMBL11396242 0.78 ESR1 (0.55) CYP19A1ESR1ESR2MAOBCYP3A4
SCHEMBL4799817 0.76 POLB (0.68) CYP19A1SMN1; SMN2CYP2C19CYP3A4CBS
SCHEMBL29397268 0.75 CYP19A1 (0.57) CYP19A1ESR1ESR2SMN1; SMN2LMNA
SCHEMBL30638795 0.75 CYP19A1 (0.57) CYP19A1ESR1ESR2SMN1; SMN2LMNA
SCHEMBL28690004 0.74 CYP19A1 (1.00) CYP19A1ESR2MAOBCYP3A4ALDH1A1

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
US-8809627-B2 Plant isoflavone and isoflavanone O-methyltransferase genes THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2014-08-19 US disclosed
US-20080317880-A1 PLANT ISOFLAVONE AND ISOFLAVANONE O-METHYLTRANSFERASE GENES THE SAMUEL ROBERTS NOBLE FOUNDATION 2008-12-25 US disclosed
WO-2008022265-A2 PLANT ISOFLAVONE AND ISOFLAVANONE O-METHYLTRANSFERASE GENES THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2008-02-21 WO disclosed