SCHEMBL8599805

SCHEMBL8599805

CCCOC(C(=O)OCC)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
CES2 O00748 1/20 0.31
TRPA1 O75762 1/20 0.30
HDAC4 P56524 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
APP P05067 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8602282 0.90 HCAR2 (0.34) ALDH1A1LMNACES2
SCHEMBL8599647 0.87 CES2 (0.42) HSD17B10CES2
SCHEMBL8596289 0.86 CES2 (0.45) HSD17B10CES2
SCHEMBL8598140 0.86 CES2 (0.45) HSD17B10CES2
SCHEMBL8599540 0.86 CES2 (0.45) HSD17B10CES2
SCHEMBL8597058 0.86 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8596854 0.85 ALDH1A1 (0.44) ALDH1A1LMNACES2POLBSMN1; SMN2
SCHEMBL8601194 0.85 ACHE (0.42) CES2SMN1; SMN2
SCHEMBL8599545 0.85 HCAR2 (0.33) ALDH1A1LMNACES2
SCHEMBL8596081 0.81 ALDH1A1 (0.39) ALDH1A1LMNACES2SMN1; SMN2

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