SCHEMBL4973196

SCHEMBL4973196

Oc1ccc(C2CC(c3ccccc3O)c3ccc(O)cc3O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.48
PLA2G2A P14555 1/20 0.48
PLA2G5 P39877 1/20 0.48
CYP19A1 P11511 5/20 0.47
CYP3A4 P08684 1/20 0.46
AR P10275 1/20 0.46
ESR2 Q92731 4/20 0.46
ESR1 P03372 3/20 0.46
VEGFA P15692 1/20 0.44
FLT1 P17948 1/20 0.44
PGF P49763 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
YES1 P07947 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 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
SCHEMBL5744717 0.76 AR (0.52) CYP19A1CYP3A4ARESR2ESR1
SCHEMBL7048656 0.74 CYP19A1 (0.60) CYP19A1CYP3A4ARESR2ESR1
SCHEMBL1933778 0.74 CYP19A1 (0.60) CYP19A1CYP3A4ARESR2ESR1
SCHEMBL10365101 0.73 CYP19A1 (0.53) CYP19A1CYP3A4ARESR2ESR1
SCHEMBL30362997 0.73 MEN1 (0.48) PLA2G10PLA2G2APLA2G5ESR2ESR1
SCHEMBL25567835 0.71 CYP3A4 (0.50) CYP19A1CYP3A4ARESR2ESR1
SCHEMBL28019044 0.70 CYP19A1 (0.53) CYP19A1ARESR2ESR1MAOA
SCHEMBL27898183 0.70 CYP19A1 (0.53) CYP19A1CYP3A4ARESR2ESR1
SCHEMBL4972000 0.69 CYP19A1 (0.54) CYP19A1
SCHEMBL4364359 0.68 ESR2 (0.53) CYP19A1CYP3A4ARESR2ESR1

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
EP-1809618-A4 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RES PTY LTD (AU) 2008-11-19 EP disclosed
EP-1809618-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY Novogen Research Pty Ltd (AU) 2007-07-25 EP disclosed
WO-2006032086-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD (AU) 2006-03-30 WO disclosed