SCHEMBL6989076

SCHEMBL6989076

CCC(CO)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TRPA1 O75762 1/20 0.47
SIGMAR1 Q99720 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
KCNH2 Q12809 2/20 0.43
ADRA1A P35348 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
EPHX2 P34913 2/20 0.42
KDM4A O75164 1/20 0.42
GRIK1 P39086 1/20 0.41

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
SCHEMBL10712129 0.88 TDP1 (0.50) SIGMAR1SMN1; SMN2TDP1KCNH2ADRA1A
SCHEMBL6779846 0.88 TDP1 (0.50) SIGMAR1SMN1; SMN2TDP1KCNH2ADRA1A
SCHEMBL112814 0.87 SIGMAR1 (0.46) SIGMAR1TDP1KCNH2ADRA1ASLC6A3
Phenylethyl Alcohol SCHEMBL11119641 0.86 ALDH1A1 (0.58) ALDH1A1TRPA1SIGMAR1TDP1
SCHEMBL19258910 0.85 TDP1 (0.46) SMN1; SMN2TDP1ADRA1ASLC6A3EPHX2
SCHEMBL11693551 0.83 TRPA1 (0.46) TRPA1SIGMAR1SMN1; SMN2TDP1ADRA1A
Benzyl Alcohol SCHEMBL23753729 0.82 ALDH1A1 (0.62) ALDH1A1TRPA1SIGMAR1TDP1HDAC3
SCHEMBL18951596 0.81 SIGMAR1 (0.50) TRPA1SIGMAR1KCNH2
SCHEMBL19831325 0.81 MEN1 (0.42) ALDH1A1SIGMAR1SMN1; SMN2KCNH2ADRA1A
SCHEMBL11274710 0.80 TDP1 (0.44) ALDH1A1SMN1; SMN2TDP1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103576-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL Glycoscience, S.L. (ES) 2022-12-21 EP claimed
WO-2021160670-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL GLYCOSCIENCE, S.L. (ES) 2021-08-19 WO claimed
EP-0908439-B1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 2003-01-02 EP claimed
EP-0908439-A1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 1999-04-14 EP claimed
JP-11193394-A None JP disclosed
EP-0908439-B1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 2003-01-02 EP disclosed
JP-H11193394-A USE OF SUBSTITUTED 5-PHENYLPENTANOL AS FRAGRANT SUBSTANCE AND PERFUMING AGENT HAARMANN & REIMER GMBH 1999-07-21 JP disclosed
EP-0908439-A1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 1999-04-14 EP disclosed
EP-0908439-A1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 1999-04-14 EP disclosed