SCHEMBL8201775

SCHEMBL8201775

CCCC[Si](C)(C)C(C)(F)C(=O)N(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.34
EPHX1 P07099 1/20 0.34
CES1 P23141 6/20 0.33
CES2 O00748 5/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL338700 0.73
SCHEMBL27775678 0.68 NR1H2 (0.37) FAAHEPHX1CES1CES2MEN1
SCHEMBL1501574 0.67 FAAH (0.38) FAAHEPHX1CES1CES2MEN1
SCHEMBL15296254 0.66 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL8763793 0.65 TSHR (0.33) NR1H2NR1H3
SCHEMBL29368734 0.64 FAAH (0.39) FAAHEPHX1CES1CES2MEN1
SCHEMBL29368090 0.64 FAAH (0.39) FAAHEPHX1CES1CES2MEN1
SCHEMBL4000795 0.62
SCHEMBL29364881 0.62 FAAH (0.41) FAAHEPHX1CES1CES2MEN1
SCHEMBL6708241 0.62 FAAH (0.34) FAAHEPHX1CES1CES2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021388-A1 PHOSPHORYLATION PROCESS AND CATALYST PERSTORP AB (SE) 2000-07-26 EP disclosed
WO-1997034853-A1 PHOSPHORYLATION PROCESS AND CATALYST PERSTORP AB (SE) 1997-09-25 WO disclosed