SCHEMBL8995500

SCHEMBL8995500

COC(=O)[C@H](CCSC(F)(F)F)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC2 Q92769 1/20 0.35
USP2 O75604 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL27353524 0.83 MAPT (0.35) ALDH1A1
SCHEMBL8995484 0.83 GAA (0.44) GAAALDH1A1HTTL3MBTL1CYP2C9
SCHEMBL111169 0.80 ALDH1A1 (0.56) GAAALDH1A1HTTL3MBTL1CYP2C9
SCHEMBL11205882 0.80 ALDH1A1 (0.56) GAAALDH1A1HTTL3MBTL1CYP2C9
SCHEMBL111170 0.80 ALDH1A1 (0.56) GAAALDH1A1HTTL3MBTL1CYP2C9
SCHEMBL12064309 0.78 SMN1; SMN2 (0.45) GAAALDH1A1L3MBTL1CYP2C9FNTA
SCHEMBL12064041 0.78 SMN1; SMN2 (0.45) GAAALDH1A1L3MBTL1CYP2C9FNTA
SCHEMBL12064029 0.78 SMN1; SMN2 (0.45) GAAALDH1A1L3MBTL1CYP2C9FNTA
SCHEMBL27847705 0.77 ALDH1A1 (0.54) GAAALDH1A1HTTL3MBTL1CYP2C9
SCHEMBL17378386 0.75 GNPAT (0.42) GAAALDH1A1HDAC2TAS1R3TAS1R1

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
US-5565689-A Reactant for perfluoroalkylation of nucleophilic substrates with sodium perfluoroalkanesulphinates in an oxidizing medium RHONE-POULENC CHIMIE (FR) 1996-10-15 US disclosed