Pinosylvin

Pinosylvin

SCHEMBL2237657

Oc1cc(O)cc(/C=C/c2ccccc2)c1.Oc1cc(O)cc(/C=C/c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.71
PTGS1 P23219 6/20 0.70
KDM4E B2RXH2 4/20 0.70
PTGS2 P35354 4/20 0.70
TTR P02766 4/20 0.70
MEN1 O00255 3/20 0.70
ALDH1A1 P00352 3/20 0.70
TP53 P04637 3/20 0.70
CYP3A4 P08684 3/20 0.70
MAPT P10636 3/20 0.70
HPGD P15428 3/20 0.70
KMT2A Q03164 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HSD17B10 Q99714 3/20 0.70
LMNA P02545 3/20 0.70
CA12 O43570 2/20 0.70
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
CA3 P07451 2/20 0.70
CA4 P22748 2/20 0.70

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
Pinosylvin SCHEMBL454262 1.00 LCK (0.71) LCKPTGS1KDM4EPTGS2TTR
Pinosylvin SCHEMBL675667 1.00 LCK (0.71) LCKPTGS1KDM4EPTGS2TTR
Pinosylvin SCHEMBL9419839 1.00 LCK (0.71) LCKPTGS1KDM4EPTGS2TTR
Pinosylvin SCHEMBL3940383 1.00 LCK (0.71) LCKPTGS1KDM4EPTGS2TTR
Pinosylvin SCHEMBL20455852 1.00 LCK (0.71) LCKPTGS1KDM4EPTGS2TTR
Pinosylvin SCHEMBL7075363 1.00 LCK (0.71) LCKPTGS1KDM4EPTGS2TTR
Pinosylvin SCHEMBL1586341 0.93 KDM4E (0.72) LCKPTGS1KDM4EPTGS2TTR
Resveratrol SCHEMBL721421 0.93 KDM4E (0.83) LCKPTGS1KDM4EPTGS2TTR
Resveratrol SCHEMBL7529004 0.93 KDM4E (0.83) LCKPTGS1KDM4EPTGS2TTR
Pinosylvin SCHEMBL27484375 0.93 KDM4E (0.72) LCKPTGS1KDM4EPTGS2TTR

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
EP-2362226-B1 Diagnostic method for neurodegenerative diseases based on measurement of SIRT1 levels or activity HARVARD COLLEGE (US) 2016-02-17 EP disclosed
EP-2362226-A1 Diagnostic method for neurodegenerative diseases based on measurement of SIRT1 levels or activity The President and Fellows of Harvard College (US) 2011-08-31 EP disclosed