SCHEMBL5586260

SCHEMBL5586260

CCCCCCCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.50
CES1 P23141 10/20 0.50
CES2 O00748 9/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EPHX1 P07099 1/20 0.46
PLA2G6 O60733 1/20 0.43

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
SCHEMBL5586210 1.00 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5586241 0.91 FAAH (0.45) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5586169 0.89 MEN1 (0.36) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29411335 0.83 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29601903 0.83 CA14 (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5586258 0.82 ALDH1A1 (0.33) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15216070 0.79 FAAH (0.47) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10570163 0.78 FAAH (0.45) FAAHCES1CES2MEN1CYP1A2
SCHEMBL27051162 0.77 LMNA (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4439111 0.76 FAAH (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO claimed
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO disclosed