SCHEMBL615588

SCHEMBL615588

CC[C@H](C(=O)S)C(=O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
FAAH O00519 8/20 0.31
CES1 P23141 5/20 0.30
CES2 O00748 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL166047 0.81 MAPT (0.35) EPHX1FAAHCES1CES2MEN1
SCHEMBL27760921 0.79 EPHX1 (0.32) EPHX1FAAHCES1CES2MEN1
SCHEMBL27872575 0.77 EPHX1 (0.31) EPHX1FAAHCES1CES2MEN1
SCHEMBL28961249 0.77 EPHX1 (0.31) EPHX1FAAHCES1CES2MEN1
SCHEMBL27445268 0.77 EPHX1 (0.31) EPHX1FAAHCES1CES2MEN1
Zinc Ion SCHEMBL23165793 0.76 CYP3A4 (0.33) EPHX1FAAH
SCHEMBL29498963 0.76 CYP3A4 (0.33) EPHX1FAAH
SCHEMBL7210418 0.76 CYP3A4 (0.37) EPHX1FAAH
SCHEMBL28375195 0.76 CYP3A4 (0.33) EPHX1FAAH
SCHEMBL30498498 0.76 CYP3A4 (0.33) EPHX1FAAH

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