SCHEMBL6993633

SCHEMBL6993633

COc1ccc(CCC(C)CCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A4 P31645 1/20 0.50
CALM1 P0DP23 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
F2RL1 P55085 1/20 0.46
AOC3 Q16853 1/20 0.45

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
SCHEMBL18557398 0.84 HTT (0.56) HTTSMN1; SMN2SLC6A4CALM1TAAR1
SCHEMBL28347286 0.84 ALDH1A1 (0.60) HTTSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL28347287 0.84 ALDH1A1 (0.60) HTTSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL12339254 0.81 HTT (0.57) HTTSMN1; SMN2SLC6A4CALM1TAAR1
SCHEMBL28343895 0.81 HTT (0.57) HTTSMN1; SMN2SLC6A4CALM1TAAR1
SCHEMBL28343894 0.81 HTT (0.57) HTTSMN1; SMN2SLC6A4CALM1TAAR1
SCHEMBL3822524 0.79 SLC6A4 (0.66) HTTSMN1; SMN2SLC6A4TAAR1MAPK1
SCHEMBL8975067 0.79 SLC6A4 (0.66) HTTSMN1; SMN2SLC6A4TAAR1MAPK1
SCHEMBL2942342 0.79 HTT (0.59) HTTSMN1; SMN2SLC6A4CALM1TAAR1
SCHEMBL265652 0.79 SLC6A4 (0.66) HTTSMN1; SMN2SLC6A4TAAR1MAPK1

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