SCHEMBL8599478

SCHEMBL8599478

CCCCCCCCCOC(C(=O)O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
MAPT P10636 1/20 0.43
FAAH O00519 7/20 0.40
CES1 P23141 5/20 0.40
GPR84 Q9NQS5 3/20 0.40
NAAA Q02083 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL8599725 1.00 CES2 (0.47) CES2MAPTFAAHCES1GPR84
SCHEMBL8598637 1.00 CES2 (0.47) CES2MAPTFAAHCES1GPR84
SCHEMBL8595349 1.00 CES2 (0.47) CES2MAPTFAAHCES1GPR84
SCHEMBL8598285 1.00 CES2 (0.47) CES2MAPTFAAHCES1GPR84
SCHEMBL8595908 0.98 CES2 (0.44) CES2MAPTFAAHCES1GPR84
SCHEMBL8595353 0.93 CES2 (0.38) CES2MAPTFAAHCES1GPR84
Fluoride SCHEMBL29059068 0.87 CES2 (0.46) CES2MAPTFAAHCES1MEN1
SCHEMBL8596144 0.85 CHRM1 (0.33) CES2MAPT
SCHEMBL8596804 0.83 CES2 (0.45) CES2FAAHNAAATSHR
SCHEMBL8599540 0.83 CES2 (0.45) CES2FAAHCES1NAAATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592669-B1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 1998-01-28 EP disclosed
US-5665270-A Optically active trifluorolactic acid derivative and liquid crystal composition CHISSO CORPORATION (JP) 1997-09-09 US disclosed
EP-0592669-A1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1994-04-20 EP disclosed