SCHEMBL1907642

SCHEMBL1907642

C=CC(=O)NC(NC(=O)C=C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.38
ACACB O00763 2/20 0.34
TGM2 P21980 4/20 0.33
GAA P10253 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL8643961 0.80 TSHR (0.65) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL29244359 0.80 TSHR (0.65) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL27799665 0.79 TSHR (1.00) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL15072 0.79
SCHEMBL636063 0.79 TSHR (0.71) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL26479936 0.79 TSHR (0.71) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL3888297 0.78 TSHR (0.62) TSHRALDH1A1MAPK1TDP1CYP2C19
Water SCHEMBL23706522 0.77
SCHEMBL4578902 0.77
Ammonia Solution, Strong SCHEMBL22401379 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324357-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST Polyintell (FR) 2011-05-25 EP disclosed
WO-2010029504-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST POLYINTELL (FR) 2010-03-18 WO disclosed
EP-2125195-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME Polyintell (FR) 2009-12-02 EP disclosed
WO-2008132384-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME POLYINTELL (FR) 2008-11-06 WO disclosed
EP-1910422-A2 MOLECULAR FINGERPRINTS WITH ENHANCED IDENTIFYING CAPABILITY, METHOD FOR PREPARING SAME AND USE THEREOF Polyintell (FR) 2008-04-16 EP disclosed
WO-2007004197-A2 MOLECULAR FINGERPRINTS WITH ENHANCED IDENTIFYING CAPABILITY, METHOD FOR PREPARING SAME AND USE THEREOF POLYINTELL (FR) 2007-01-11 WO disclosed