SCHEMBL9490604

SCHEMBL9490604

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
ACACB O00763 2/20 0.34
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CRBN Q96SW2 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
PDE4B Q07343 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
FAAH O00519 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 0.96 RAB9A (0.36) RAB9AACACBTSHRCRBNSCN8A
SCHEMBL9485354 0.95 THRB (0.35) RAB9ACRBNSMN1; SMN2MAPTTHRB
SCHEMBL9485173 0.95 RAB9A (0.35) RAB9AACACBCRBNSCN8ASCN10A
SCHEMBL9433247 0.94 THRB (0.37) RAB9AKMT2ACRBNSMN1; SMN2MAPT
SCHEMBL9485498 0.94 THRB (0.37) RAB9AKMT2ACRBNSMN1; SMN2MAPT
SCHEMBL7501761 0.94 THRB (0.37) RAB9AKMT2ACRBNSMN1; SMN2MAPT
SCHEMBL9433251 0.94 THRB (0.37) RAB9AKMT2ACRBNSMN1; SMN2MAPT
SCHEMBL9658937 0.94 THRB (0.37) RAB9AKMT2ACRBNSMN1; SMN2MAPT
SCHEMBL9486093 0.94 THRB (0.37) RAB9AKMT2ACRBNSMN1; SMN2MAPT
SCHEMBL9485306 0.94 THRB (0.37) RAB9AKMT2ACRBNSMN1; SMN2MAPT

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