SCHEMBL6576322

SCHEMBL6576322

C=CC(=O)NCC(C)C(C)(C)N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TGM2 P21980 1/20 0.32
GFPT1 Q06210 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
Bromide SCHEMBL720213 0.98 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL717006 0.98 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
Acetic Acid SCHEMBL716560 0.95 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ammonia Solution, Strong SCHEMBL720212 0.84 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ammonia Solution, Strong SCHEMBL717005 0.80 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27401300 0.79 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1270720 0.76
SCHEMBL21565839 0.76
SCHEMBL18755013 0.76 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL372689 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409557-A1 NOVEL HEAT-THICKENING POLYMERS, PREPARATION METHOD, POSITIVE MICROLATEX AND POSITIVE LATEX CONTAINING SAME AND USE THEREOF AS HEAT-THICKENING AGENT SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES-SEPPIC (FR) 2004-04-21 EP disclosed
WO-2003008462-A1 NOVEL HEAT-THICKENING POLYMERS, PREPARATION METHOD, POSITIVE MICROLATEX AND POSITIVE LATEX CONTAINING SAME AND USE THEREOF AS HEAT-THICKENING AGENT SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES (S.E.P.P.I.C.) (FR) 2003-01-30 WO disclosed
CN-1031381-A Electrically conductive plastic moldings and preparation method thereof SUMITOMO CHEMICAL CO (JP) 1989-03-01 CN disclosed
EP-0290205-A1 Electrical storage accumulators containing electrolyte retention means SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-09 EP disclosed