SCHEMBL3357310

SCHEMBL3357310

CCN(CC)CC1(c2ccc(O)cc2)COc2cc(OC)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.43
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP26A1 O43174 1/20 0.38
CYP24A1 Q07973 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 5/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX12 P18054 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL29266573 0.83 ESR1 (0.36) ESR1ESR2MAOBALDH1A1PTPN1
SCHEMBL5855991 0.73 CYP19A1 (0.47) CYP19A1MAOBCYP3A4MAPTHPGD
SCHEMBL5854730 0.72 CYP19A1 (0.38) CYP19A1ESR1ESR2MAOBCYP3A4
SCHEMBL29099783 0.71 PTPN1 (0.53) CYP19A1ESR1MAOBALDH1A1ALOX15
SCHEMBL1500280 0.70 CYP19A1 (0.48) CYP19A1MAOBCYP3A4MAPTHPGD
SCHEMBL31525604 0.70 CYP19A1 (0.48) CYP19A1MAOBCYP3A4MAPTHPGD
SCHEMBL28439793 0.69 MAOB (0.44) CYP19A1MAOBCYP3A4MAPTHPGD
SCHEMBL4618569 0.69 CYP19A1 (0.47) CYP19A1MAOBCYP3A4MAPTHPGD
SCHEMBL4618571 0.69 CYP19A1 (0.47) CYP19A1MAOBCYP3A4MAPTHPGD
SCHEMBL7236035 0.68 HTR1A (0.40) CYP19A1MAOBCYP3A4MAPTHPGD

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-2010039679-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2010-04-08 WO disclosed