SCHEMBL1488043

SCHEMBL1488043

C=CC(=O)NCO.C=CC(=O)NCO

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
ALDH1A1 P00352 4/20 0.65
MAPK1 P28482 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
TGM2 P21980 8/20 0.42
LMNA P02545 2/20 0.35
PSMB5 P28074 1/20 0.33
FGFR4 P22455 1/20 0.33
GAA P10253 1/20 0.33
F13A1 P00488 1/20 0.32
TGM1 P22735 1/20 0.32
TGM3 Q08188 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL25806 1.00
Methane SCHEMBL27684800 0.97
Ammonia Solution, Strong SCHEMBL27963019 0.97
Formaldehyde SCHEMBL8466228 0.97
SCHEMBL28956758 0.97
Water SCHEMBL9482345 0.97
Ethylene SCHEMBL10406317 0.97
Ethylene Glycol SCHEMBL28855063 0.95 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ethane SCHEMBL9809196 0.95
Ammonia Solution, Strong SCHEMBL28268951 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110049430-A1 METHOD FOR MAKING POLYMER, COATING ELECTRODE, AND ASSOCIATED POLYMER AND ELECTRODE GENERAL ELECTRIC COMPANY (US) 2011-03-03 US claimed
CN-103237734-A Decorative glass container and method for manufacturing decorative glass container KOA GLASS CO LTD 2013-08-07 CN disclosed