SCHEMBL6993852

SCHEMBL6993852

COc1ccc(CCC(C)(C)CCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
F2RL1 P55085 1/20 0.46
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
AOC3 Q16853 1/20 0.43
CASR P41180 1/20 0.43
PPARA Q07869 1/20 0.42
IDO1 P14902 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42

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
SCHEMBL13359300 0.81 TAAR1 (0.52) CALM1TAAR1F2RL1MAOBSIGMAR1
SCHEMBL8939115 0.79 TAAR1 (0.53) CALM1TAAR1F2RL1MAOBSMN1; SMN2
SCHEMBL1754089 0.79 TAAR1 (0.57) CALM1TAAR1F2RL1MAOBSMN1; SMN2
SCHEMBL77472 0.78 TAAR1 (0.61) CALM1TAAR1F2RL1MAOBSMN1; SMN2
SCHEMBL11203493 0.78 FFAR1 (0.51) F2RL1SMN1; SMN2RAB9A
SCHEMBL6989028 0.77 TDP1 (0.54) TAAR1ALOX15ALDH1A1HPGDRAB9A
SCHEMBL20589395 0.77 F2RL1 (0.49) CALM1TAAR1F2RL1MAOBSMN1; SMN2
SCHEMBL31497794 0.77 TAAR1 (0.59) CALM1TAAR1F2RL1MAOBSMN1; SMN2
SCHEMBL3797481 0.76 TAAR1 (0.59) CALM1TAAR1F2RL1MAOBSIGMAR1
SCHEMBL79113 0.75 CALM1 (0.68) CALM1TAAR1F2RL1MAOBIGF1R

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