SCHEMBL3468962

SCHEMBL3468962

C=CC(=O)NC(C)(C)C.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.39
LMNA P02545 2/20 0.35
EPHX1 P07099 1/20 0.34
TGM2 P21980 4/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.31
ACKR3 P25106 1/20 0.31

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
SCHEMBL26705 0.97
Hydrochloric Acid SCHEMBL29176180 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Fluoride SCHEMBL21409814 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Hydrogen Sulfide SCHEMBL27456318 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Lithium SCHEMBL29993996 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Potassium SCHEMBL29993873 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Ammonia Solution, Strong SCHEMBL1036558 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL19457855 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL35506 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL30868898 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129045-A1 LIQUID ELECTROLYTE FILLED POLYMER ELECTROLYTE ENERGY, UNITED STATES DEPARTMENT OF 2012-05-24 US disclosed
WO-2010111308-A1 LIQUID ELECTROLYTE FILLED POLYMER ELECTROLYTE TDA RESEARCH, INC. (US) 2010-09-30 WO disclosed
US-6727019-B2 Electrochemical cell having an ionomer binder of Li-AMPS and associated fabrication ILION TECHNOLOGY 2004-04-27 US disclosed
US-20020136952-A1 Electrochemical cell having an ionomer binder and associated fabrication PACIFIC LITHIUM NEW ZEALAND LIMITED (NZ) 2002-09-26 US disclosed
EP-1244162-A1 Electrochemical cell having ionomer binder and associated fabrication process Ilion Technology Corporation (US) 2002-09-25 EP disclosed