SCHEMBL9491245

SCHEMBL9491245

CCOc1ccc(C(=O)Oc2ccc(C3CCC(CC[C@H](C)[C@H](F)C(=O)O)CC3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
FFAR1 O14842 2/20 0.31
DHODH Q02127 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
SCHEMBL6896856 0.85 CYP2C9 (0.46) ACACBCYP2C9ALDH1A1LMNAMAPT
SCHEMBL9491241 0.80 ACACB (0.34) ACACBMAPT
SCHEMBL9491249 0.80 ACACB (0.34) ACACBMAPT
SCHEMBL13025717 0.80 CYP2C9 (0.42) ACACBCYP2C9ALDH1A1LMNAMAPT
SCHEMBL9562030 0.78 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9562026 0.78 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9491256 0.78 CACNA1G (0.33) ACACBMAPT
SCHEMBL9292192 0.78 KMT2A (0.36) ACACBMAPTDHODH
SCHEMBL9191317 0.77 RAB9A (0.39) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9457329 0.77 RAB9A (0.39) CYP2C9ALDH1A1LMNAMAPT

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