SCHEMBL12307322

SCHEMBL12307322

COc1ccc(/C=C/c2cc(C)cc(O)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.79
CYP1A1 P04798 4/20 0.79
CYP1B1 Q16678 4/20 0.79
PTGS1 P23219 3/20 0.79
KDM4E B2RXH2 3/20 0.79
LMNA P02545 1/20 0.79
ALOX12 P18054 1/20 0.79
ALOX5 P09917 4/20 0.67
TTR P02766 3/20 0.64
RELA Q04206 3/20 0.63
NQO2 P16083 3/20 0.61
TUBB1 Q9H4B7 3/20 0.61
ESR1 P03372 2/20 0.61
ABL1 P00519 2/20 0.61
ABCB1 P08183 2/20 0.61
BCR P11274 2/20 0.61
AHR P35869 2/20 0.61
TUBB4A P04350 2/20 0.61
TUBB P07437 2/20 0.61
TUBA3C P0DPH7 2/20 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 4'-Methyl Ether SCHEMBL563262 0.89 PTGS2 (1.00) PTGS2CYP1A1CYP1B1PTGS1KDM4E
Resveratrol 4'-Methyl Ether SCHEMBL563261 0.89 PTGS2 (1.00) PTGS2CYP1A1CYP1B1PTGS1KDM4E
Resveratrol 4'-Methyl Ether SCHEMBL4732963 0.89 PTGS2 (1.00) PTGS2CYP1A1CYP1B1PTGS1KDM4E
SCHEMBL12231884 0.89 RELA (0.73) PTGS2CYP1A1CYP1B1PTGS1KDM4E
SCHEMBL2516449 0.85 PTGS2 (0.86) PTGS2CYP1A1CYP1B1PTGS1KDM4E
SCHEMBL29662231 0.85 PTGS2 (0.86) PTGS2CYP1A1CYP1B1PTGS1KDM4E
SCHEMBL29652111 0.85 PTGS2 (0.86) PTGS2CYP1A1CYP1B1PTGS1KDM4E
SCHEMBL2516446 0.85 PTGS2 (0.86) PTGS2CYP1A1CYP1B1PTGS1KDM4E
SCHEMBL12535856 0.85 PTGS2 (0.78) PTGS2CYP1A1CYP1B1PTGS1KDM4E
SCHEMBL15026080 0.85 PTGS2 (0.85) PTGS2CYP1A1CYP1B1PTGS1KDM4E

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
US-8017634-B2 Compositions for treating obesity and insulin resistance disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-09-13 US disclosed
EP-2289504-A2 SIRT1 modulators for manipulating cell/organism lifespan/stress response President and Fellows of Harvard College (US) 2011-03-02 EP disclosed
US-7544497-B2 Compositions for manipulating the lifespan and stress response of cells and organisms PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-06-09 US disclosed