SCHEMBL7129843

SCHEMBL7129843

CC(C)=CCC[C@]1(C)CCC(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.39
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL7744116 1.00 ALOX5 (0.39) ALOX5PPARGPPARANR1I2
SCHEMBL7129846 1.00 ALOX5 (0.39) ALOX5PPARGPPARANR1I2
SCHEMBL6432189 0.81 ALOX5 (0.35) ALOX5PPARG
SCHEMBL18407034 0.79 ALOX5 (0.39) ALOX5PPARGPPARANR1I2
SCHEMBL1532400 0.77 PRKCA (0.34) ALOX5
SCHEMBL3110258 0.77 PRKCA (0.34) ALOX5
SCHEMBL3110275 0.77 PRKCA (0.34) ALOX5
SCHEMBL3661073 0.74 SIRT2 (0.39)
SCHEMBL26427562 0.74 ALOX5 (0.58) ALOX5NR1I2
SCHEMBL26427515 0.74 ALOX5 (0.58) ALOX5NR1I2

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
JP-2003238550-A METHOD FOR PRODUCING FURANONE AND NEW INTERMEDIATE THEREFOR SHIONO KORYO KK 2003-08-27 JP disclosed
JP-2002322489-A PERFUME COMPRISING (5S)- OR (5R)-5-METHYL-5-(4-METHYL-3- PENTENYL)-4,5-DIHYDRO-2(3H)-FURANONE, METHOD FOR PRODUCING THE SAME AND PERFUME COMPOSITION INCLUDING THE SAME SHIONO KORYO KK 2002-11-08 JP disclosed