SCHEMBL6530709

SCHEMBL6530709

COC(OC)(OCC1CC1C(=O)OC1CCCCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.43
CHRM2 P08172 7/20 0.43
CHRM1 P11229 4/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
KCNH2 Q12809 2/20 0.36
MLNR O43193 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL6408113 0.85 FABP7 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6450271 0.84 CYP1A2 (0.43) SLC6A3LMNACYP2D6CYP2C19SLC6A4
SCHEMBL6409580 0.82 SLC6A11 (0.46) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6430592 0.81 FFAR4 (0.45)
SCHEMBL6447636 0.81 CA1 (0.45)
SCHEMBL6447900 0.81 CYP2C19 (0.36) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6408765 0.74 FABP7 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6409506 0.73 FABP7 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6415837 0.71 CYP1A2 (0.44) SLC6A3LMNACYP2D6CYP2C19SLC6A4
SCHEMBL6406983 0.71 EPHX1 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5

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-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 EP disclosed