SCHEMBL6436094

SCHEMBL6436094

CC(C)=CCCC(C)(O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.54
CHRM1 P11229 1/20 0.54
TBXA2R P21731 1/20 0.54
ADRA1A P35348 1/20 0.54
ALOX15 P16050 4/20 0.47
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TRPA1 O75762 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL28126701 0.83 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1AALOX15
SCHEMBL6434714 0.79 ALOX15 (0.43) ALOX15KDM4EATMTSHRHIF1A
SCHEMBL5554363 0.78 ALDH1A1 (0.52) HMGCRCHRM1TBXA2RADRA1AALOX15
SCHEMBL1733822 0.78 ALDH1A1 (0.52) HMGCRCHRM1TBXA2RADRA1AALOX15
SCHEMBL1884426 0.78 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1AALOX15
SCHEMBL8468873 0.77 ALOX15 (0.44) HMGCRCHRM1TBXA2RADRA1AALOX15
SCHEMBL4748771 0.77 ALOX15 (0.52) ALOX15KDM4EATMTSHRHIF1A
SCHEMBL28084645 0.77 ALOX15 (0.44) ALOX15HIF1AMEN1KMT2ATRPA1
SCHEMBL7059001 0.76 ALOX15 (0.52) HMGCRCHRM1TBXA2RADRA1AALOX15
SCHEMBL580034 0.76 ALOX15 (0.52) HMGCRCHRM1TBXA2RADRA1AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109798-B1 GERANIC ACID DERIVATIVES FIRMENICH & CIE (CH) 2005-10-12 EP claimed
US-6384242-B1 4-METHYL-4-(4-METHYLPENT-3-EN-1-YL)-2-OXETANONE; ITS SYNTHESIS FROM 6-METHYL-5-HEPTEN-2-ONE AND KETENE; INTERMEDIATE FOR 3-HYDROXYCITRONELLIC ESTERS AND 2,6-DIMETHYLHEPTADIENE/1,5-/ UPON PYROLYSIS FIRMENICH SA (CH) 2002-05-07 US claimed
EP-1109798-A1 GERANIC ACID DERIVATIVES FIRMENICH SA (CH) 2001-06-27 EP claimed
WO-2000014080-A1 GERANIC ACID DERIVATIVES FIRMENICH S.A. (CH) 2000-03-16 WO claimed
EP-1109798-B1 GERANIC ACID DERIVATIVES FIRMENICH & CIE (CH) 2005-10-12 EP disclosed
US-6384242-B1 4-METHYL-4-(4-METHYLPENT-3-EN-1-YL)-2-OXETANONE; ITS SYNTHESIS FROM 6-METHYL-5-HEPTEN-2-ONE AND KETENE; INTERMEDIATE FOR 3-HYDROXYCITRONELLIC ESTERS AND 2,6-DIMETHYLHEPTADIENE/1,5-/ UPON PYROLYSIS FIRMENICH SA (CH) 2002-05-07 US disclosed
EP-1109798-A1 GERANIC ACID DERIVATIVES FIRMENICH SA (CH) 2001-06-27 EP disclosed
WO-2000014080-A1 GERANIC ACID DERIVATIVES FIRMENICH S.A. (CH) 2000-03-16 WO disclosed