SCHEMBL4804016

SCHEMBL4804016

COc1ccc(C2C(=O)c3ccc(O)cc3OC2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.58
ESR2 Q92731 5/20 0.58
CYP19A1 P11511 4/20 0.50
CBS P35520 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MAOB P27338 2/20 0.46
KIT P10721 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL4725052 0.92 CYP19A1 (0.59) ESR1ESR2CYP19A1CBSMAPT
SCHEMBL571732 0.88 ESR2 (0.73) ESR1ESR2CYP19A1MAOBPTPN1
SCHEMBL2029052 0.88 ESR2 (0.73) ESR1ESR2CYP19A1MAOBPTPN1
SCHEMBL30555701 0.88 ESR2 (0.73) ESR1ESR2CYP19A1MAOBPTPN1
SCHEMBL11396242 0.85 ESR1 (0.55) ESR1ESR2CYP19A1CBSMEN1
SCHEMBL26982934 0.82 SMN1; SMN2 (0.63) ESR1ESR2CYP19A1CBSMEN1
SCHEMBL4799817 0.81 POLB (0.68) CYP19A1CBSMEN1POLBMAPT
SCHEMBL2069507 0.75 ALOX12 (0.74) CYP19A1MEN1POLBMAPTKMT2A
SCHEMBL29559241 0.75 ALOX12 (0.74) CYP19A1MEN1POLBMAPTKMT2A
SCHEMBL14045015 0.75 ESR1 (0.71) ESR1ESR2CYP19A1MAOBPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070050865-A1 Polynucleotide encoding 2-hydorxyisoflavanone dehydratase and application of the same NIHON UNIVERSITY (JP) 2007-03-01 US claimed
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
US-7462478-B2 isolated from licorice; catalyzes a dehydration reaction of 2-hydroxy hisoflavanone NIHON UNIVERSITY (JP) 2008-12-09 US disclosed
US-20070050865-A1 Polynucleotide encoding 2-hydorxyisoflavanone dehydratase and application of the same NIHON UNIVERSITY (JP) 2007-03-01 US disclosed