SCHEMBL8460680

SCHEMBL8460680

CC(=O)O[C@@H]1CC(O)C(C)[C@@H](OC(C)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.39
CHRM1 P11229 5/20 0.39
CHRM4 P08173 4/20 0.39
CHRM3 P20309 4/20 0.39
CHRM5 P08912 2/20 0.39
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL19101752 0.82 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL29308581 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL19934329 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL6944371 0.78 CHRM2 (0.33) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL6951975 0.78 CHRM2 (0.33) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL30891555 0.75 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL12513405 0.75 CHRNB2 (0.40) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL30093764 0.74 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL14141163 0.73 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL6653691 0.73 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766660-B1 CYCLOHEXANONE DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THE METHOD SCHERING AG (DE) 1999-12-29 EP claimed
EP-0766660-A1 CYCLOHEXANONE DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THE METHOD SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-09 EP claimed
WO-1996000207-A1 CYCLOHEXANONE DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THE METHOD SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-04 WO claimed
EP-0766660-B1 CYCLOHEXANONE DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THE METHOD SCHERING AG (DE) 1999-12-29 EP disclosed
US-5886233-A Cyclohexanone derivatives, process for their production and intermediate products of the process SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed