SCHEMBL705946

SCHEMBL705946

COc1ccc(C2Cc3ccccc3OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAOB P27338 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 3/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
PPARG P37231 1/20 0.42
TP53 P04637 1/20 0.42
MAOA P21397 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL17985004 0.84 CYP19A1 (0.49) CYP19A1ALDH1A1MAPTMAOBKMT2A
SCHEMBL28555018 0.83 CYP19A1 (0.55) CYP19A1ALDH1A1MAPTMAOBKMT2A
SCHEMBL72984 0.83 SIRT1 (0.48) CYP19A1ALDH1A1MAOBKMT2AHPGD
Charcoal, Activated SCHEMBL2025121 0.82 SIRT1 (0.47) CYP19A1ALDH1A1MAOBKMT2AHPGD
SCHEMBL2069508 0.81 ALDH1A1 (0.59) CYP19A1ALDH1A1MAPTMAOBKMT2A
SCHEMBL31547349 0.81 MAPT (0.46) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL2854127 0.81 CYP19A1 (0.49) CYP19A1ALDH1A1MAOBTP53MAOA
SCHEMBL4806205 0.81 MAPT (0.46) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL28907445 0.81 ALDH1A1 (0.50) CYP19A1ALDH1A1MAPTMAOBKMT2A
SCHEMBL3357789 0.80 ALOX15 (0.57) CYP19A1GABRA1GABRB2ALDH1A1MAPT

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 12 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-8124390-B2 Aromatic prenyltransferases, nucleic acids encoding same and uses therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2012-02-28 US disclosed
US-20100285502-A1 NOVEL AROMATIC PRENYLTRANSFERASES, NUCLEIC ACIDS ENCODING SAME AND USES THEREFOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES TOUDAI TLO, LTD. 2010-11-11 US disclosed
US-7544498-B2 Aromatic prenyltransferases, nucleic acids encoding same and uses therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2009-06-09 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-20080274478-A1 NOVEL AROMATIC PRENYLTRANSFERASES, NUCLEIC ACIDS ENCODING SAME AND USES THEREFOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES TOUDAI TOL, LTD. 2008-11-06 US disclosed
US-7361483-B2 Aromatic prenyltransferases, nucleic acids encoding same and uses therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2008-04-22 US disclosed
WO-2008022265-A2 PLANT ISOFLAVONE AND ISOFLAVANONE O-METHYLTRANSFERASE GENES THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2008-02-21 WO disclosed
US-20070050865-A1 Polynucleotide encoding 2-hydorxyisoflavanone dehydratase and application of the same NIHON UNIVERSITY (JP) 2007-03-01 US disclosed
US-20060183211-A1 Novel aromatic prenyltransferases, nucleic acids encoding same and uses therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES TOUDAI TLO, LTD. 2006-08-17 US disclosed
WO-2006081537-A2 NOVEL AROMATIC PRENYLTRANSFERASES, NUCLEIC ACIDS ENCODING SAME AND USES THEREFOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2006-08-03 WO disclosed