SCHEMBL8045688

SCHEMBL8045688

CCC(C)OC(c1ccccc1)C1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
MLNR O43193 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR2C P28335 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL151181 0.84 IDO1 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3687682 0.84 IDO1 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
Ethylene Glycol SCHEMBL8153345 0.79 CHRM2 (0.38) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL7294198 0.78 EPHX1 (0.55) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL4813260 0.78 NPSR1 (0.39) MEN1ALDH1A1CYP2C9KMT2A
Ether SCHEMBL9571015 0.77 SLC6A2 (0.38) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL11295933 0.77 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL27680710 0.75 CHRM2 (0.34) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL27376966 0.74 IDO1 (0.42) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL7166432 0.74 CHRM2 (0.38) CHRM2CHRM1CHRM3CHRM4CHRM5

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
CN-108431073-A Composition epoxy resin, fibre reinforced composites, molded product and pressure vessel 东丽株式会社 2018-08-21 CN claimed
EP-0989179-A1 Refrigerating machine oil Nippon Mitsubishi Oil Corporation (JP) 2000-03-29 EP disclosed