SCHEMBL4972000

SCHEMBL4972000

COc1cccc(C2CC(c3cccc(O)c3)Oc3cc(O)ccc32)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.54
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DRD1 P21728 1/20 0.43
KIF11 P52732 1/20 0.41

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
SCHEMBL17708716 0.84 CYP19A1 (0.49) CYP19A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL4359940 0.80 CYP19A1 (0.49) CYP19A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL29066383 0.79 CYP19A1 (0.51) CYP19A1
SCHEMBL20594070 0.79 CYP19A1 (0.51) CYP19A1
SCHEMBL20594068 0.79 CYP19A1 (0.51) CYP19A1
SCHEMBL16160573 0.76 ESR2 (0.63) CYP19A1LMNA
SCHEMBL30362997 0.75 MEN1 (0.48) MEN1KMT2ATDP1
SCHEMBL17709139 0.75 CYP19A1 (0.82) CYP19A1
SCHEMBL17709142 0.75 CYP19A1 (0.82) CYP19A1
SCHEMBL4360502 0.73 ESR1 (0.63) CYP19A1LMNASMN1; SMN2MEN1KMT2A

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