SCHEMBL1551095

SCHEMBL1551095

C=C/C(C)=C/CCC(C)(C)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
CPT2 P23786 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 2/20 0.35
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
BHMT Q93088 3/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1551096 1.00 FFAR1 (0.47) FFAR1CPT2TDP1KDM4EALOX15
SCHEMBL29618246 0.79 FFAR1 (0.56) FFAR1CPT2TDP1KDM4EHMGCR
SCHEMBL29618243 0.73 FFAR1 (0.65) FFAR1CPT2TDP1KDM4EHMGCR
SCHEMBL111319 0.72 ALOX15 (0.47) ALOX15TSHRHIF1AALDH1A1
SCHEMBL111320 0.72 ALOX15 (0.47) ALOX15TSHRHIF1AALDH1A1
SCHEMBL11767058 0.72 ALOX15 (0.47) ALOX15TSHRHIF1AALDH1A1
SCHEMBL1499937 0.72 CPT2 (0.58) FFAR1CPT2TDP1KDM4EHMGCR
SCHEMBL29067476 0.72 MAPT (0.40) FFAR1KDM4ECYP2D6TSHRCYP2C19
SCHEMBL1551733 0.71 GAA (0.38) ALOX15HIF1AALDH1A1
SCHEMBL1551734 0.71 GAA (0.38) ALOX15HIF1AALDH1A1

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
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP disclosed