SCHEMBL615589

SCHEMBL615589

CCSC(=O)CC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.45
CES1 P23141 10/20 0.44
CES2 O00748 6/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLA2G6 O60733 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL23421922 0.78 ALDH1A1 (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8465400 0.76 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9286604 0.72 FAAH (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9432450 0.71 KDM4E (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL183178 0.71 PLOD2 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11242744 0.70
SCHEMBL343124 0.70
SCHEMBL9588855 0.70
SCHEMBL9065118 0.70 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1948056 0.69 TDP1 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9339531-B2 Recognition of CYP2E1 epitopes THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-17 US disclosed
US-20120040377-A1 RECOGNITION OF CYP2E1 EPITOPES THE JOHNS HOPKINS UNIVERSITY (US) 2012-02-16 US disclosed
WO-2010099432-A2 RECOGNITION OF CYP2E1 EPITOPES THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-02 WO disclosed