SCHEMBL8115343

SCHEMBL8115343

CCCCC(=O)C(F)(F)CCCC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.56
CES1 P23141 9/20 0.54
CES2 O00748 5/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 2/20 0.42
PLA2G4B P0C869 1/20 0.42
MAPT P10636 1/20 0.42
PLA2G4A P47712 1/20 0.42
BLM P54132 1/20 0.42
MGLL Q99685 1/20 0.42
PLA2G4C Q9UP65 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL9767600 0.91 FAAH (0.67) FAAHCES1CES2MEN1CYP1A2
SCHEMBL20654764 0.84 CES2 (0.59) FAAHCES1CES2MEN1CYP1A2
SCHEMBL439276 0.84 CES2 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL809819 0.78 FAAH (0.86) FAAHCES1CES2MEN1CYP1A2
SCHEMBL18965607 0.78 CYP1A2 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL18965382 0.77 CES2 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15744200 0.77 CES2 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL23776682 0.76 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1706449 0.76 CES2 (0.54) FAAHCES1CES2MEN1CYP1A2
SCHEMBL12396593 0.76 CES2 (0.54) FAAHCES1CES2MEN1CYP1A2

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-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed