SCHEMBL28603606

SCHEMBL28603606

COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)c2ccccc2O)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.68
▸ MAOA P21397 6/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ CASP3 P42574 1/20 0.68
▸ SENP8 Q96LD8 1/20 0.68
▸ SENP7 Q9BQF6 1/20 0.68
▸ SENP6 Q9GZR1 1/20 0.68
▸ PTGS2 P35354 8/20 0.68
▸ PTGS1 P23219 2/20 0.61

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
SCHEMBL28603613 0.90 PTGS2 (0.59) MAOBMAOACYP2D6MAPTCYP2C9
SCHEMBL30807155 0.82 MAPT (1.00) MAOBMAOACYP2D6MAPTCYP2C9
SCHEMBL2807601 0.82 MAPT (1.00) MAOBMAOACYP2D6MAPTCYP2C9
SCHEMBL2807599 0.82 MAPT (1.00) MAOBMAOACYP2D6MAPTCYP2C9
SCHEMBL31026434 0.81 MAOB (0.55) MAOBMAOAMAPTCYP2C19PTGS2
SCHEMBL29184053 0.80 PTGS2 (0.67) MAOBMAOAMAPTPTGS2PTGS1
SCHEMBL28618218 0.80 PTGS2 (0.67) MAOBMAOAMAPTPTGS2PTGS1
SCHEMBL633510 0.79 MAPT (0.69) MAOBMAOACYP2D6MAPTCYP2C9
SCHEMBL633509 0.79 MAPT (0.69) MAOBMAOACYP2D6MAPTCYP2C9
SCHEMBL632910 0.79 MAPT (0.81) MAOBMAOACYP2D6MAPTCYP2C9

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
CN-108558813-B Resveratrol derivative containing flavonoid as well as preparation method and application thereof 合肥工业大学 2021-07-23 — — CN disclosed
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