SCHEMBL28524463

SCHEMBL28524463

Oc1cc(O)cc(C=Cc2ccc(Oc3ccc(C=Cc4cc(O)cc(O)c4)cc3)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.71
PTGS2 P35354 5/20 0.71
KDM4E B2RXH2 4/20 0.71
LMNA P02545 4/20 0.71
TTR P02766 4/20 0.71
MEN1 O00255 3/20 0.71
ALDH1A1 P00352 3/20 0.71
TP53 P04637 3/20 0.71
CYP1A2 P05177 3/20 0.71
CYP3A4 P08684 3/20 0.71
MAPT P10636 3/20 0.71
CYP2C9 P11712 3/20 0.71
HPGD P15428 3/20 0.71
KMT2A Q03164 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
HIF1A Q16665 3/20 0.71
HSD17B10 Q99714 3/20 0.71
CYP1A1 P04798 3/20 0.71
CYP1B1 Q16678 3/20 0.71
ALOX5 P09917 3/20 0.71

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
SCHEMBL2516475 0.92 KDM4E (0.61) PTGS1PTGS2KDM4ELMNATTR
SCHEMBL2516476 0.92 KDM4E (0.61) PTGS1PTGS2KDM4ELMNATTR
SCHEMBL2516451 0.85 KDM4E (0.62) PTGS1PTGS2KDM4ELMNATTR
SCHEMBL2516448 0.85 KDM4E (0.62) PTGS1PTGS2KDM4ELMNATTR
Resveratrol SCHEMBL3704258 0.83 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNATTR
Resveratrol SCHEMBL20164915 0.83 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNATTR
Cis-Resveratrol SCHEMBL1931746 0.83 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNATTR
Resveratrol SCHEMBL17629801 0.83 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNATTR
Resveratrol SCHEMBL2300985 0.83 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNATTR
Resveratrol SCHEMBL19426 0.83 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNATTR

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-108147951-B Phenyl alkene compound and preparation method and application thereof 包骏 2021-03-19 CN claimed
CN-108147951-B Phenyl alkene compound and preparation method and application thereof 包骏 2021-03-19 CN disclosed
CN-108147951-B Phenyl alkene compound and preparation method and application thereof 包骏 2021-03-19 CN disclosed