SCHEMBL6989028

SCHEMBL6989028

CC(C)(CCO)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
ALOX12 P18054 2/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL13545891 0.85 TDP1 (0.50) TDP1ALDH1A1MAPTALOX12MEN1
SCHEMBL27850999 0.83 ALDH1A1 (0.39) TDP1ALDH1A1MAPTALOX12MEN1
SCHEMBL11253564 0.81 SLC6A2 (0.50) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL5833727 0.81 TP53 (0.42) TDP1ALDH1A1MAPTALOX12MEN1
SCHEMBL5145695 0.79 KEAP1 (0.59) TDP1ALDH1A1MAPTMEN1HTT
SCHEMBL11066485 0.78 TP53 (0.44) TDP1ALDH1A1MAPTALOX12MEN1
SCHEMBL28358189 0.78 HRH3 (0.40) TDP1ALDH1A1MAPTALOX12MEN1
SCHEMBL6993852 0.77 CALM1 (0.49) ALDH1A1RAB9AHPGDALOX15TAAR1
SCHEMBL18231464 0.77 TAAR1 (0.50) ALDH1A1ALOX12HPGDALOX15CASP1
SCHEMBL7450180 0.76 SLC13A5 (0.50) TDP1ALDH1A1MAPTMEN1HTT

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 7 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 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