SCHEMBL1546594

SCHEMBL1546594

CC(C)=CCc1c(O)ccc2c1OCC(c1ccc(O)cc1O)C2=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.81
HSP90AA1 P07900 1/20 0.62
CYP19A1 P11511 1/20 0.62
PTPN1 P18031 8/20 0.56
SLC22A12 Q96S37 2/20 0.49
SLC2A9 Q9NRM0 2/20 0.49
XDH P47989 1/20 0.49
IDO1 P14902 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
ALPL P05186 1/20 0.46
POLB P06746 1/20 0.46
ALPI P09923 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALPG P10696 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL571650 0.85 HSP90AA1 (0.77) TYRHSP90AA1CYP19A1PTPN1IDO1
Water SCHEMBL1999608 0.84 HSP90AA1 (0.76) TYRHSP90AA1CYP19A1PTPN1IDO1
SCHEMBL31290568 0.83 PTPN1 (0.72) TYRHSP90AA1CYP19A1PTPN1
SCHEMBL29375480 0.80 TYR (0.56) TYRHSP90AA1CYP19A1PTPN1
SCHEMBL30523853 0.78 PTPN1 (0.81) TYRHSP90AA1PTPN1IDO1MAPT
SCHEMBL27013629 0.77 HSP90AA1 (1.00) TYRHSP90AA1CYP19A1PTPN1
SCHEMBL1546595 0.77 CYP19A1 (0.59) TYRHSP90AA1CYP19A1PTPN1SLC22A12
SCHEMBL30266617 0.77 HSP90AA1 (1.00) TYRHSP90AA1CYP19A1PTPN1
SCHEMBL12866209 0.75 PTPN1 (0.82) TYRHSP90AA1PTPN1IDO1KDM4E
SCHEMBL29516022 0.75 PTPN1 (0.82) TYRHSP90AA1PTPN1IDO1KDM4E

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