SCHEMBL4452636

SCHEMBL4452636

CC(C)=CCc1cccc2oc3ccccc3c(=O)c12.O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.60
GAA P10253 2/20 0.60
SI P14410 2/20 0.60
MGAM2 Q2M2H8 2/20 0.60
PTPN1 P18031 5/20 0.56
MAOA P21397 5/20 0.56
FASN P49327 2/20 0.56
MMP1 P03956 1/20 0.56
RXRA P19793 1/20 0.55
IKBKB O14920 1/20 0.54
PGAM1 P18669 1/20 0.53
NUDT1 P36639 1/20 0.51
CYP19A1 P11511 1/20 0.51
ESR2 Q92731 1/20 0.48

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
SCHEMBL2052448 0.84 IKBKB (0.58) MGAMGAASIMGAM2MAOA
SCHEMBL2314333 0.78 MGAM (1.00) MGAMGAASIMGAM2PTPN1
SCHEMBL30346407 0.78 MGAM (1.00) MGAMGAASIMGAM2PTPN1
SCHEMBL28020193 0.76 MGAM (0.97) MGAMGAASIMGAM2PTPN1
SCHEMBL24075575 0.75 NUDT1 (0.77) MGAMGAASIMGAM2PTPN1
SCHEMBL2418732 0.75 MAOA (1.00) MGAMGAASIMGAM2PTPN1
SCHEMBL29908959 0.75 MAOA (1.00) MGAMGAASIMGAM2PTPN1
SCHEMBL29678199 0.75 MAOA (1.00) MGAMGAASIMGAM2PTPN1
Dimethyl Sulfoxide SCHEMBL28246380 0.73 MGAM (0.83) MGAMGAASIMGAM2PTPN1
SCHEMBL3130212 0.71 IKBKB (0.61) MGAMGAASIMGAM2PTPN1

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