SCHEMBL9485173

SCHEMBL9485173

CCCC[C@H](F)C(=O)O[C@H]1CC[C@H](c2ccc(OC(=O)c3ccc(OCCC)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
ACACB O00763 3/20 0.33
CRBN Q96SW2 1/20 0.33
PDE4B Q07343 2/20 0.32
THRB P10828 2/20 0.32
SCN9A Q15858 1/20 0.31
FAAH O00519 4/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL9485366 0.98 RAB9A (0.36) RAB9AACACBCRBNPDE4BTHRB
SCHEMBL9485354 0.97 THRB (0.35) RAB9ACRBNTHRBSCN9AFAAH
SCHEMBL9433247 0.96 THRB (0.37) RAB9ACRBNTHRBFAAH
SCHEMBL9658937 0.96 THRB (0.37) RAB9ACRBNTHRBFAAH
SCHEMBL7501761 0.96 THRB (0.37) RAB9ACRBNTHRBFAAH
SCHEMBL9433251 0.96 THRB (0.37) RAB9ACRBNTHRBFAAH
SCHEMBL9486203 0.96 THRB (0.37) RAB9ACRBNTHRBFAAH
SCHEMBL9485498 0.96 THRB (0.37) RAB9ACRBNTHRBFAAH
SCHEMBL9486093 0.96 THRB (0.37) RAB9ACRBNTHRBFAAH
SCHEMBL9485306 0.96 THRB (0.37) RAB9ACRBNTHRBFAAH

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-0343487-B1 CYCLOHEXYL ESTERS OF ALPHA-FLUORO/CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed