SCHEMBL9302320

SCHEMBL9302320

CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O)c3ccccc3c2O1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.61
PPARG P37231 3/20 0.54
PPARA Q07869 2/20 0.54
NR1I2 O75469 1/20 0.54
PTGES O14684 1/20 0.52

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
SCHEMBL29465604 0.84 ALOX5 (0.83) ALOX5PPARGPPARANR1I2PTGES
Gamma-Tocotrienol SCHEMBL3272929 0.84 ALOX5 (0.83) ALOX5PPARGPPARANR1I2PTGES
Gamma-Tocotrienol SCHEMBL29354672 0.84 ALOX5 (0.83) ALOX5PPARGPPARANR1I2PTGES
Gamma-Tocotrienol SCHEMBL16430897 0.84 ALOX5 (0.83) ALOX5PPARGPPARANR1I2PTGES
Gamma-Tocotrienol SCHEMBL3270923 0.84 ALOX5 (0.83) ALOX5PPARGPPARANR1I2PTGES
Gamma-Tocotrienol SCHEMBL3270920 0.84 ALOX5 (0.83) ALOX5PPARGPPARANR1I2PTGES
SCHEMBL15050325 0.81 ALOX5 (0.71) ALOX5PPARGPPARANR1I2PTGES
SCHEMBL27417852 0.81 ALOX5 (0.62) ALOX5
SCHEMBL15050324 0.81 ALOX5 (0.71) ALOX5PPARGPPARANR1I2PTGES
SCHEMBL15050322 0.81 ALOX5 (0.71) ALOX5PPARGPPARANR1I2PTGES

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318993-A Antihyperlipidemic benzoquinones BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-07 US disclosed