SCHEMBL4126220

SCHEMBL4126220

C=CCc1oc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
NQO1 P15559 1/20 0.31

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
SCHEMBL4312661 0.70
SCHEMBL8473059 0.70
SCHEMBL4140872 0.70 ALOX5 (0.41) KDM4EALDH1A1MAPTALOX15GAA
SCHEMBL11534752 0.68 APEX1 (0.42) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL3929231 0.65
SCHEMBL4122108 0.65 KDM4E (0.33) KDM4EGAAGLA
SCHEMBL8756342 0.65
SCHEMBL4132560 0.65
SCHEMBL3923690 0.65 PTGS2 (0.38) ALDH1A1MAPTGAA
SCHEMBL29395735 0.63 KDM4E (0.37) KDM4EALDH1A1MAPTALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027101-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES Symrise GmbH & Co. KG (DE) 2009-02-25 EP claimed
WO-2007131834-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2007-11-22 WO claimed
EP-2027101-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES Symrise GmbH & Co. KG (DE) 2009-02-25 EP disclosed
WO-2007131834-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2007-11-22 WO disclosed