SCHEMBL4452673

SCHEMBL4452673

C=CC(C)(C)c1cccc2oc3ccccc3c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.50
PTPN1 P18031 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
PGAM1 P18669 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CDC14B O60729 1/20 0.41
CDC14A Q9UNH5 1/20 0.41
KDM5A P29375 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
SCHEMBL19625973 0.83 MAOA (0.57) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL1794501 0.71 MAOA (0.63) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL3326971 0.70 MAOA (0.47) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL28194247 0.70 MAOA (0.53) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL22171903 0.69 MAOA (0.58) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL4696277 0.69 MAOA (0.90) MAOAKDM4EALDH1A1GLACYP3A4
Xanthone SCHEMBL29398266 0.69 MAOA (1.00) MAOAKDM4EALDH1A1GLACYP3A4
Xanthone SCHEMBL41161 0.69 MAOA (1.00) MAOAKDM4EALDH1A1GLACYP3A4
Xanthone SCHEMBL29358061 0.69 MAOA (1.00) MAOAKDM4EALDH1A1GLACYP3A4
Xanthone SCHEMBL2354794 0.69 MAOA (1.00) MAOAKDM4EALDH1A1GLACYP3A4

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-2009024707-A2 USE OF RADAMEA MONTANA EXTRACT FOR PREPARING A COSMETIC COMPOSITION UNIVERSITE CLAUDE BERNARD LYON I (FR) 2009-02-26 WO disclosed