SCHEMBL20145190

SCHEMBL20145190

CCCCCCOC(O)(NCCCCC)OCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.39
EPHX1 P07099 8/20 0.38
CASP2 P42575 1/20 0.38
GBA1 P04062 1/20 0.37
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 6/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL20145294 0.78 EPHX1 (0.39) EPHX1GBA1THRBACHE
SCHEMBL30634500 0.73 CES1 (0.47) CES1EPHX1GBA1MEN1THRB
SCHEMBL6727146 0.72 EPHX1 (0.46) EPHX1CASP2GBA1THRB
SCHEMBL10980330 0.72 EPHX1 (0.46) EPHX1CASP2GBA1THRB
SCHEMBL76225 0.72 EPHX1 (0.46) EPHX1CASP2GBA1THRB
Hydrochloric Acid SCHEMBL23277170 0.72 EPHX1 (0.46) EPHX1CASP2GBA1THRB
SCHEMBL8769729 0.72 CES1 (0.45) CES1EPHX1GBA1MEN1THRB
SCHEMBL2164846 0.72 EPHX1 (0.46) EPHX1CASP2GBA1THRB
SCHEMBL13456958 0.72 CES1 (0.45) CES1EPHX1GBA1MEN1THRB
SCHEMBL15308094 0.72 CES1 (0.45) CES1EPHX1GBA1MEN1THRB

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-2646410-B1 NOVEL AGENTS FOR REWORKABLE EPOXY RESINS CONNORA TECH INC (US) 2018-05-16 EP disclosed