SCHEMBL1546595

SCHEMBL1546595

CC(C)=CCc1c(O)ccc2c1OC(=O)C(c1ccc(O)cc1O)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
TYR P14679 3/20 0.51
IDO1 P14902 2/20 0.51
PTPN1 P18031 4/20 0.48
HSP90AA1 P07900 1/20 0.47
SLC22A12 Q96S37 2/20 0.47
SLC2A9 Q9NRM0 2/20 0.47
XDH P47989 1/20 0.47
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
CACNA1G O43497 1/20 0.44
AKR1B10 O60218 1/20 0.44
CACNA1H O95180 1/20 0.44
AKR1B1 P15121 1/20 0.44
MAOA P21397 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PDE5A O76074 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 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
SCHEMBL1546594 0.77 TYR (0.81) CYP19A1TYRIDO1PTPN1HSP90AA1
SCHEMBL571650 0.72 HSP90AA1 (0.77) CYP19A1TYRIDO1PTPN1HSP90AA1
Water SCHEMBL1999608 0.72 HSP90AA1 (0.76) CYP19A1TYRIDO1PTPN1HSP90AA1
Leachianone G SCHEMBL31237622 0.71 IDO1 (0.81) CYP19A1IDO1PTPN1ESR1ESR2
Leachianone G SCHEMBL6544629 0.71 IDO1 (0.81) CYP19A1IDO1PTPN1ESR1ESR2
Leachianone G SCHEMBL6544631 0.71 IDO1 (0.81) CYP19A1IDO1PTPN1ESR1ESR2
SCHEMBL28426229 0.70 PTPN1 (0.50) CYP19A1TYRPTPN1HSP90AA1SLC22A12
SCHEMBL28749050 0.69 TYR (0.45) TYRKDM4EPOLBMAPTKMT2A
SCHEMBL28484749 0.69 ALDH1A1 (0.46) TYRPTPN1KDM4EMEN1MAPT
SCHEMBL30999861 0.69 TYR (0.64) CYP19A1TYRPTPN1HSP90AA1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750732-B1 CANCER CELL GROWTH INHIBITION BY BLACK BEAN (PHASEOLUS VULGARIS L.) EXTRACTS ITESM (MX) 2013-03-27 EP disclosed
EP-2311476-A2 Cancer cell growth inhibition by black bean (phaseolus vulgaris l) extracts Instituto Tecnologico y de Estudios Superiores de Monterrey (MX) 2011-04-20 EP disclosed
US-20100216729-A1 Cancer cell growth inhibition by black bean (Phaseolus vulgaris L) extracts INSTITUTO TECNOLOGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2010-08-26 US disclosed
US-7763292-B2 Cancer cell growth inhibition by black bean (Phaseolus vulgaris L) extracts INSTITUTO TECHNOLOGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2010-07-27 US disclosed
EP-1750732-A2 CANCER CELL GROWTH INHIBITION BY BLACK BEAN (PHASEOLUS VULGARISL) EXTRACTS Instituto Tecnologico y de Estudios Superiores de Monterrey (MX) 2007-02-14 EP disclosed
US-20060024394-A1 Cancer cell growth inhibition by black bean (Phaseolus vulgaris L) extracts Instituto Tecnológico y de Estudios Superiores de Monterrey 2006-02-02 US disclosed
WO-2005107780-A2 CANCER CELL GROWTH INHIBITION BY BLACK BEAN (PHASEOLUS VULGARISL) EXTRACTS INSTITUTO TECNOLÓGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (ITESM) (US) 2005-11-17 WO disclosed