SCHEMBL8960544

SCHEMBL8960544

COC(=O)C1CCCCC1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A12 P48065 3/20 0.36
SLC6A11 P48066 3/20 0.36
SLC6A13 Q9NSD5 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPP1CC P36873 1/20 0.33

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
SCHEMBL8891785 0.85 SLC6A2 (0.38) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL8960286 0.82 ALDH1A1 (0.40) PPM1BPTPN1TP53CYP3A4PPP1CC
SCHEMBL30472587 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL30472636 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL1934486 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL2295236 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL29248863 0.80 GAA (0.39) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL12556399 0.79 HDAC8 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL12556893 0.79 HDAC8 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL13918262 0.79 SLC6A2 (0.42) SLC6A2SLC6A4CHRM2CHRM4CHRM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694605-A2 Cyclic diesters and their use as perfuming ingredients FIRMENICH SA (CH) 1996-01-31 EP disclosed