Pterostilbene

Pterostilbene

SCHEMBL3545782

COc1cc(/C=C\c2ccc(O)cc2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 1.00
CYP1B1 Q16678 6/20 1.00
ALOX5 P09917 6/20 1.00
NQO2 P16083 5/20 1.00
PTGS2 P35354 4/20 1.00
TTR P02766 3/20 1.00
ABL1 P00519 3/20 1.00
BCR P11274 3/20 1.00
KDM4E B2RXH2 3/20 1.00
ABCB1 P08183 2/20 1.00
PTGS1 P23219 2/20 1.00
MEN1 O00255 2/20 1.00
MAPT P10636 2/20 1.00
KMT2A Q03164 2/20 1.00
NPC1 O15118 1/20 1.00
GAA P10253 1/20 1.00
MAPK1 P28482 1/20 1.00
RAB9A P51151 1/20 1.00
GFER P55789 1/20 1.00
HDAC6 Q9UBN7 1/20 1.00

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
Pterostilbene SCHEMBL28222684 1.00 CYP1A1 (1.00) CYP1A1CYP1B1ALOX5NQO2PTGS2
Pterostilbene SCHEMBL20063 1.00 CYP1A1 (1.00) CYP1A1CYP1B1ALOX5NQO2PTGS2
Pterostilbene SCHEMBL563218 1.00 CYP1A1 (1.00) CYP1A1CYP1B1ALOX5NQO2PTGS2
SCHEMBL562335 0.94 CYP1A1 (1.00) CYP1A1CYP1B1ALOX5NQO2PTGS2
SCHEMBL562336 0.94 CYP1A1 (1.00) CYP1A1CYP1B1ALOX5NQO2PTGS2
SCHEMBL30475363 0.94 CYP1A1 (1.00) CYP1A1CYP1B1ALOX5NQO2PTGS2
Pterostilbene SCHEMBL3476941 0.93 NQO2 (0.86) CYP1A1CYP1B1ALOX5NQO2PTGS2
Pterostilbene SCHEMBL3476943 0.93 NQO2 (0.86) CYP1A1CYP1B1ALOX5NQO2PTGS2
SCHEMBL25328598 0.92 CYP1A1 (0.86) CYP1A1CYP1B1ALOX5NQO2PTGS2
SCHEMBL12535853 0.89 PTGS2 (0.80) CYP1A1CYP1B1ALOX5NQO2PTGS2

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
US-7705188-B2 Structural modification of resveratrol: sodium resverastatin phosphate Arizona Board of Regents, a body corporate of the State of Arizona, Acting for and on Behalf of the Arizona State University (US) 2010-04-27 US claimed
WO-2024249314-A1 PRENYLTRANSFERASES FOR PRENYLATING STILBENES GINKGO BIOWORKS, INC. (US) 2024-12-05 WO disclosed