SCHEMBL9487280

SCHEMBL9487280

CCCCOc1ccc(C(=O)Oc2ccc([C@H]3CC[C@H](OC(=O)[C@@H](F)[C@@H](C)CC)CC3)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
CRBN Q96SW2 1/20 0.34
FAAH O00519 5/20 0.32
SCN9A Q15858 1/20 0.31
IDO1 P14902 1/20 0.30
THRB P10828 2/20 0.30
GRM2 Q14416 2/20 0.30
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
SCHEMBL9486105 0.98 RAB9A (0.36) RAB9ACRBNFAAHTHRBGRM2
SCHEMBL9486166 0.97 RAB9A (0.36) RAB9ACRBNFAAHTHRB
SCHEMBL9486631 0.97 RAB9A (0.36) RAB9ACRBNFAAHTHRB
SCHEMBL9484845 0.97 RAB9A (0.36) RAB9ACRBNFAAHTHRB
SCHEMBL9484886 0.97 RAB9A (0.36) RAB9ACRBNFAAHTHRB
SCHEMBL9486091 0.97 RAB9A (0.36) RAB9ACRBNFAAHTHRB
SCHEMBL9486170 0.97 RAB9A (0.36) RAB9ACRBNFAAHTHRB
SCHEMBL9484754 0.97 RAB9A (0.36) RAB9ACRBNFAAHTHRB
SCHEMBL9485952 0.97 RAB9A (0.33) RAB9ACRBNIDO1SCN8ASCN10A
SCHEMBL9491241 0.94 ACACB (0.34) RAB9AIDO1THRB

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