SCHEMBL5328545

SCHEMBL5328545

CC1CCCC1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
MAPK1 P28482 1/20 0.39
BTK Q06187 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM1 P11229 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
CHRM4 P08173 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.31
PREP P48147 1/20 0.31
PDE4B Q07343 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
SCHEMBL26460992 0.96 EPHX1 (0.52) EPHX1MAPK1BTKHRH3CHRM2
SCHEMBL1296115 0.85 EPHX1 (0.41) EPHX1MAPK1BTKHRH3CHRM2
SCHEMBL1297808 0.83 BTK (0.38) EPHX1MAPK1BTKHRH3CHRM2
SCHEMBL15023147 0.82 BTK (0.47) MAPK1BTKMEN1KMT2A
SCHEMBL8140944 0.82 CHRM2 (0.43) EPHX1BTKCHRM2CHRM3GAA
SCHEMBL23004339 0.82 BTK (0.47) MAPK1BTKMEN1KMT2A
SCHEMBL18309090 0.82 BTK (0.37) EPHX1MAPK1BTKHRH3CHRM2
SCHEMBL18590666 0.82 BTK (0.47) MAPK1BTKMEN1KMT2A
SCHEMBL8181924 0.82 CHRM2 (0.43) EPHX1BTKCHRM2CHRM3GAA
SCHEMBL2502211 0.80 BTK (0.39) EPHX1MAPK1BTKHRH3CHRM2

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
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed