SCHEMBL28899386

SCHEMBL28899386

[2H]C([2H])([2H])Oc1cc(O)cc(/C=C/c2ccc(OC)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.73
CYP1A1 P04798 5/20 0.73
CYP1B1 Q16678 5/20 0.73
ALOX5 P09917 5/20 0.73
TTR P02766 3/20 0.73
KDM4E B2RXH2 3/20 0.72
PTGS1 P23219 3/20 0.72
LMNA P02545 1/20 0.72
ALOX12 P18054 1/20 0.72
MEN1 O00255 3/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 3/20 0.66
USP2 O75604 1/20 0.66
ALDH1A1 P00352 1/20 0.66
TP53 P04637 1/20 0.66
CYP3A4 P08684 1/20 0.66
HPGD P15428 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TRPV1 Q8NER1 1/20 0.66
HSD17B10 Q99714 1/20 0.66

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
SCHEMBL28466511 1.00 PTGS2 (0.73) PTGS2CYP1A1CYP1B1ALOX5TTR
SCHEMBL28472010 0.97 PTGS2 (0.67) PTGS2CYP1A1CYP1B1ALOX5TTR
SCHEMBL2516446 0.92 PTGS2 (0.86) PTGS2CYP1A1CYP1B1ALOX5TTR
SCHEMBL2516449 0.92 PTGS2 (0.86) PTGS2CYP1A1CYP1B1ALOX5TTR
SCHEMBL29652111 0.92 PTGS2 (0.86) PTGS2CYP1A1CYP1B1ALOX5TTR
SCHEMBL29662231 0.92 PTGS2 (0.86) PTGS2CYP1A1CYP1B1ALOX5TTR
Resveratrol 4'-Methyl Ether SCHEMBL28469037 0.90 PTGS2 (0.76) PTGS2CYP1A1CYP1B1ALOX5TTR
SCHEMBL562336 0.84 CYP1A1 (1.00) PTGS2CYP1A1CYP1B1ALOX5TTR
SCHEMBL562335 0.84 CYP1A1 (1.00) PTGS2CYP1A1CYP1B1ALOX5TTR
SCHEMBL30475363 0.84 CYP1A1 (1.00) PTGS2CYP1A1CYP1B1ALOX5TTR

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-111728962-B Resveratrol derivative and medical application thereof in resisting fibrosis 绍兴君科臻元医药科技有限公司 2024-04-30 CN disclosed
CN-111728962-A Resveratrol derivative and medical application of resveratrol derivative in anti-fibrosis 泰州华元医药科技有限公司 2020-10-02 CN disclosed