SCHEMBL5796768

SCHEMBL5796768

O=C1Cc2ccccc2OC1c1ccccc1.O=C1c2cc(O)ccc2OC(c2ccccc2)C1(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
CYP3A4 P08684 2/20 0.39
CYP19A1 P11511 5/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
PSMB5 P28074 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
NPC1 O15118 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
DNMT3B Q9UBC3 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MIF P14174 1/20 0.33

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
Flavanone SCHEMBL5796766 0.80 AR (0.68) ARCYP3A4CYP19A1MAOBMAOA
SCHEMBL126600 0.78 AR (0.52) ARCYP3A4CYP19A1MAOBMAOA
SCHEMBL130268 0.76 CYP19A1 (0.49) ARCYP3A4CYP19A1MAOBMAOA
SCHEMBL13730471 0.76 CYP19A1 (0.49) ARCYP3A4CYP19A1MAOBMAOA
SCHEMBL2283832 0.76 CYP3A4 (0.49) ARCYP3A4CYP19A1MAOBMAOA
SCHEMBL19746 0.76 CYP19A1 (0.45) ARCYP19A1MAOBMAOARAB9A
SCHEMBL5088610 0.75 CYP19A1 (0.47) ARCYP3A4CYP19A1MAOBMAOA
Methane SCHEMBL27973705 0.74 CYP19A1 (0.44) ARCYP19A1MAOBMAOARAB9A
SCHEMBL11733122 0.74 CYP19A1 (0.44) ARCYP19A1MAOBMAOARAB9A
SCHEMBL5313705 0.73 DNMT3B (0.57) ARCYP3A4CYP19A1MAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006030322-A2 USE OF FLA VONE/FLA VANONE DERIVATIVES FN THE TREATMENT OR PREVENTION OF RESPIRATORY CONDITIONS UNIVERSITY OF MANITOBA (CA) 2006-03-23 WO disclosed