SCHEMBL6984129

SCHEMBL6984129

CCC(=O)OCCCCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
NAAA Q02083 3/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
ESRRG P62508 3/20 0.44
STS P08842 2/20 0.44
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC13A5 Q86YT5 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MITF O75030 1/20 0.40
ESRRB O95718 1/20 0.40

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
SCHEMBL16673150 0.98 KCNH2 (0.51) KCNH2NAAALMNAHTTESRRG
SCHEMBL16672775 0.87 KCNH2 (0.45) KCNH2NAAALMNAESRRGSTS
SCHEMBL1789939 0.86 KCNH2 (0.50) KCNH2NAAALMNAESRRGSTS
SCHEMBL16672584 0.86 DGKA (0.46) KCNH2LMNAESRRGSTSNR1H4
SCHEMBL1789937 0.85 KCNH2 (0.49) KCNH2NAAALMNAESRRGSTS
SCHEMBL16672539 0.83 PPARA (0.44) NAAAHTT
SCHEMBL16672456 0.83 CTDSP1 (0.53) NAAALMNAHTT
SCHEMBL22614923 0.83 ESR1 (0.56) NAAALMNAHTTSMN1; SMN2
SCHEMBL27903610 0.83 ESR1 (0.56) NAAALMNAHTTSMN1; SMN2
SCHEMBL16713295 0.83 LMNA (0.51) KCNH2NAAALMNAESRRGSTS

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-0908439-B1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 2003-01-02 EP disclosed
EP-0908439-A1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 1999-04-14 EP disclosed