SCHEMBL28058486

SCHEMBL28058486

c1ccc(C23OC2O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.37
MAOA P21397 7/20 0.37
PNMT P11086 1/20 0.37
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
KDM1A O60341 4/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
TSHR P16473 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
SCHEMBL20952337 0.69 HTR1A (0.36) MAOBMAOATSHR
SCHEMBL6129709 0.67 CHRM2 (0.40) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL63455 0.67 CHRM2 (0.40) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL2763759 0.65 CHRNB2 (0.39) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL2763761 0.65 CHRNB2 (0.39) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL12451142 0.65 CHRNB2 (0.39) MAOBMAOAGRIN1GRIN2AOPRM1
SCHEMBL28366383 0.65 CHRNB2 (0.39) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL7108506 0.64 CHRM2 (0.49) MAOBMAOAKDM1ATSHR
SCHEMBL3971547 0.64 CHRM2 (0.49) MAOBMAOAKDM1ATSHR
SCHEMBL10876622 0.63 OPRM1 (0.41) MAOBMAOAPNMTOPRM1OPRK1

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-112375048-A Method for preparing epoxide by promoting efficient epoxidation of diolefin and air under assistance of microwave 湖北大学 2021-02-19 CN disclosed
CN-105439982-A Styrene oxidation method CHINA PETROLEUM & CHEM CORP 2016-03-30 CN disclosed