SCHEMBL7092136

SCHEMBL7092136

C=CCC(O)CCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALOX5 P09917 3/20 0.42
MAOA P21397 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
MAOB P27338 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
FAAH O00519 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
SCHEMBL9685330 0.98 TRPA1 (0.55) TRPA1TRPV1MAPTRXFP1ALOX5
SCHEMBL3904160 0.87 DPP4 (0.45) MAPT
SCHEMBL3239288 0.87 DPP4 (0.45) MAPT
SCHEMBL252676 0.87 DPP4 (0.45) MAPT
SCHEMBL19682101 0.81 TRPA1 (0.67) TRPA1TRPV1MAPTRXFP1MAOA
SCHEMBL13841298 0.79 DPP4 (0.42) MAPT
SCHEMBL18942747 0.79 TRPA1 (0.51) TRPA1TRPV1MAPTRXFP1ALOX5
SCHEMBL18943248 0.79 TRPA1 (0.51) TRPA1TRPV1MAPTRXFP1ALOX5
SCHEMBL101260 0.78 TRPA1 (0.58) TRPA1TRPV1MAPTRXFP1MAOA
SCHEMBL7166933 0.78 TRPA1 (0.58) TRPA1TRPV1MAPTRXFP1MAOA

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