SCHEMBL18567148

SCHEMBL18567148

CCC(=O)OCC1(C)CC(C)(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
OPRM1 P35372 8/20 0.39
OPRD1 P41143 6/20 0.39
OPRK1 P41145 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC22A1 O15245 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
MITF O75030 2/20 0.36
DRD3 P35462 1/20 0.36
ELANE P08246 1/20 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
SCHEMBL18457274 0.79 MEN1 (0.37) GAAOPRM1OPRD1OPRK1MEN1
SCHEMBL18456805 0.71 GAA (0.37) GAAOPRM1OPRK1MEN1KMT2A
SCHEMBL18457115 0.68 MEN1 (0.35) LMNAGAAOPRM1OPRK1MEN1
SCHEMBL6439975 0.68 OPRL1 (0.44) LMNAGAAOPRM1OPRK1MEN1
SCHEMBL6439973 0.68 OPRL1 (0.44) LMNAGAAOPRM1OPRK1MEN1
SCHEMBL3463291 0.66 EPHX1 (0.41)
SCHEMBL20342310 0.66 LMNA (0.35) LMNAOPRM1OPRD1OPRK1MEN1
SCHEMBL30395863 0.66 APEX1 (0.47) LMNAMAPTELANE
SCHEMBL28398971 0.66 OPRM1 (0.65) LMNAOPRM1OPRD1OPRK1MEN1
SCHEMBL1083011 0.66 APEX1 (0.47) LMNAMAPTELANE

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-3135663-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION CONTAINING SAID COMPOUND Takasago International Corporation (JP) 2017-03-01 EP disclosed