SCHEMBL11299374

SCHEMBL11299374

CCC1CC(OC(C)=O)C2CC1C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.33
HSD11B2 P80365 1/20 0.32
CHRM2 P08172 5/20 0.32
CHRM1 P11229 3/20 0.32
CHRM4 P08173 2/20 0.32
CHRM3 P20309 2/20 0.32
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6073033 0.78
SCHEMBL13454914 0.71 METAP2 (0.33) CHRM2CHRM1CHRM4CHRM3PTGS2
SCHEMBL13454915 0.71 METAP2 (0.33) CHRM2CHRM1CHRM4CHRM3PTGS2
SCHEMBL25821850 0.69 CA12 (0.35) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL9608756 0.69 CA12 (0.35) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL14734513 0.67 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL23871861 0.67 RET (0.38) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL29308963 0.67 CHRM2 (0.38) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL24119155 0.67 CHRM2 (0.34) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL2457612 0.66 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3KMT2A

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
JP-56030940-A None JP disclosed
JP-S5630940-A MONOTERPENOID COMPOUND MITSUBISHI CHEM IND LTD 1981-03-28 JP disclosed