SCHEMBL28489354

SCHEMBL28489354

CC(C=Cc1ccc(O)cc1)=Cc1cc(O)cc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.61
▸ CA12 O43570 6/20 0.61
▸ CA1 P00915 6/20 0.61
▸ CA2 P00918 6/20 0.61
▸ CA7 P43166 6/20 0.61
▸ CA9 Q16790 6/20 0.61
▸ CA14 Q9ULX7 6/20 0.61
▸ PTGS1 P23219 6/20 0.61
▸ LMNA P02545 4/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ MAPT P10636 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ NQO2 P16083 4/20 0.61
▸ TYR P14679 4/20 0.61
▸ CYP1A1 P04798 4/20 0.61
▸ CYP1B1 Q16678 4/20 0.61
▸ AKR1B1 P15121 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ CYP2C9 P11712 3/20 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
SCHEMBL29004149 0.87 MAPT (0.50) PTGS2CA12CA1CA2CA7
SCHEMBL499104 0.81 CYP3A4 (0.53) CA12CA1CA2CA7CA9
SCHEMBL28480592 0.79 PTGS2 (0.53) PTGS2CA12CA1CA2CA7
Resveratrol SCHEMBL20603098 0.77 KDM4E (0.91) PTGS2CA12CA1CA2CA7
Resveratrol SCHEMBL20603099 0.77 KDM4E (0.91) PTGS2CA12CA1CA2CA7
Resveratrol SCHEMBL19425 0.77 PTGS1 (1.00) PTGS2CA12CA1CA2CA7
Resveratrol SCHEMBL19426 0.77 PTGS1 (1.00) PTGS2CA12CA1CA2CA7
Resveratrol SCHEMBL20164915 0.77 PTGS1 (1.00) PTGS2CA12CA1CA2CA7
Resveratrol SCHEMBL17629801 0.77 PTGS1 (1.00) PTGS2CA12CA1CA2CA7
Cis-Resveratrol SCHEMBL1931746 0.77 PTGS1 (1.00) PTGS2CA12CA1CA2CA7

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-111943817-B Resveratrol analogue containing long conjugated structure and preparation method and application thereof 西安医学院 2023-05-16 — — CN disclosed
CN-111943817-A Resveratrol analogue containing long conjugated structure and preparation method and application thereof 西安医学院 2020-11-17 — — CN disclosed
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