Resveratrol

Resveratrol

SCHEMBL28627984

NCC(=O)O.OCCO.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Resveratrol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.61
▸ CYP1A1 P04798 4/20 0.61
▸ PTGS1 P23219 4/20 0.61
▸ CYP1A2 P05177 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ CA12 O43570 3/20 0.61
▸ CA1 P00915 3/20 0.61
▸ CA2 P00918 3/20 0.61
▸ CA3 P07451 3/20 0.61
▸ CA4 P22748 3/20 0.61
▸ CA6 P23280 3/20 0.61
▸ CA5A P35218 3/20 0.61
▸ CA7 P43166 3/20 0.61
▸ CA9 Q16790 3/20 0.61
▸ CA14 Q9ULX7 3/20 0.61
▸ CA5B Q9Y2D0 3/20 0.61
▸ CYP19A1 P11511 3/20 0.61
▸ TTR P02766 3/20 0.61
▸ CYP1B1 Q16678 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
Resveratrol SCHEMBL19022423 0.95 PTGS2 (0.68) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL19331480 0.86 PTGS2 (0.70) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL27883730 0.83 PTGS2 (0.76) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL28719858 0.82 PTGS2 (0.83) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL30291837 0.80 PTGS2 (0.66) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL28030055 0.79 PTGS2 (0.76) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL29473334 0.79 PTGS2 (0.76) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL21225662 0.79 PTGS2 (0.76) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL28307179 0.78 KDM4E (0.91) PTGS2CYP1A1PTGS1CYP1A2KDM4E
Resveratrol SCHEMBL20164915 0.78 PTGS1 (1.00) PTGS2CYP1A1PTGS1CYP1A2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113181370-A Synthesis process of tumor targeting drug 六安市康恒生物科技有限公司 2021-07-30 — — CN claimed
CN-113181370-A Synthesis process of tumor targeting drug 六安市康恒生物科技有限公司 2021-07-30 — — CN disclosed
CN-113181370-A Synthesis process of tumor targeting drug 六安市康恒生物科技有限公司 2021-07-30 — — CN disclosed
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