SCHEMBL28534258

SCHEMBL28534258

Cc1ccc(C(c2ccccc2)c2c(O)cc(C)oc2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
MCL1 Q07820 1/20 0.63
PTGES O14684 1/20 0.53
ALDH1A1 P00352 4/20 0.48
GAA P10253 4/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
NQO1 P15559 6/20 0.43
TOP1 P11387 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX12 P18054 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
IDH1 O75874 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL28531272 0.86 MAPT (0.47) MAPTMCL1PTGESALDH1A1GAA
SCHEMBL28532114 0.86 MAPT (0.47) MAPTMCL1PTGESALDH1A1GAA
SCHEMBL28531699 0.86 MAPT (0.47) MAPTMCL1PTGESALDH1A1GAA
SCHEMBL6174518 0.81 VKORC1 (0.55) MAPTMCL1PTGESALDH1A1GAA
SCHEMBL28537368 0.78 KDM4E (0.45) MAPTMCL1ALDH1A1GAAMGAM
SCHEMBL6174415 0.78 CYP2C9 (0.58) MAPTMCL1PTGESALDH1A1GAA
SCHEMBL7408954 0.76 MAPT (0.53) MAPTMCL1PTGESALDH1A1GAA
SCHEMBL6175188 0.76 PPARG (0.52) MAPTMCL1PTGESALDH1A1GAA
SCHEMBL6172211 0.75 MAPT (0.47) MAPTMCL1PTGESALDH1A1GAA
SCHEMBL6173554 0.72 MAPT (0.47) MAPTMCL1PTGESALDH1A1GAA

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
CN-112517060-B Catalyst, application and synthesis method of 4-hydroxycoumarin derivative 山东农业大学 2022-03-25 CN disclosed
CN-112517060-A Catalyst, application and synthesis method of 4-hydroxycoumarin derivative 山东农业大学 2021-03-19 CN disclosed