SCHEMBL873495

SCHEMBL873495

CC(=O)OC1CCC[C@H]2CCCC[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 5/20 0.43
CHRM1 P11229 4/20 0.43
CHRM4 P08173 2/20 0.43
CHRM3 P20309 2/20 0.43
SLC18A3 Q16572 2/20 0.38
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
F2R P25116 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL873494 1.00 MEN1 (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL7735027 1.00 MEN1 (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL12684678 0.98 MEN1 (0.45) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL28039695 0.98 MEN1 (0.45) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL7678515 0.87 CHRM2 (0.48) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL7678513 0.87 CHRM2 (0.48) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL11072360 0.83 SGMS1 (0.35) MEN1CYP2D6KMT2AALDH1A1CHRM1
SCHEMBL5483474 0.82 ALDH1A1 (0.34) MEN1CYP2D6KMT2AALDH1A1
SCHEMBL3128014 0.82 ALDH1A1 (0.34) MEN1CYP2D6KMT2AALDH1A1
SCHEMBL5933295 0.82 ALDH1A1 (0.32) MEN1CYP2D6KMT2AALDH1A1

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-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed