SCHEMBL21829112

SCHEMBL21829112

C=CC(=O)NC(C)C.C=CC(=O)OCCO

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.63
HPGD P15428 1/20 0.44
ALDH1A1 P00352 8/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.35
ACACB O00763 2/20 0.33
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RCE1 Q9Y256 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
Acrylic Acid SCHEMBL6888124 0.95 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
Di(Hydroxyethyl)Ether SCHEMBL4297710 0.84 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2098855 0.84 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL21049704 0.83 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4875634 0.83 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28813009 0.83 TSHR (0.55) TSHRALDH1A1THRBGAAACACB
Ethylene Glycol SCHEMBL12472882 0.82 TSHR (0.82) TSHRALDH1A1MAPK1GAAACACB
SCHEMBL3077949 0.81 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
Dimethylamine SCHEMBL27632529 0.80 TSHR (0.83) TSHRHPGDALDH1A1TP53HIF1A
Methyl Alcohol SCHEMBL28276837 0.80 TSHR (0.91) TSHRHPGDALDH1A1TP53HIF1A

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
EP-3860719-A1 COSMETIC COMPOSITION IN THE FORM OF A WATER-IN-OIL EMULSION FOR TREATING HAIR TO IMPROVE COMBING Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2021-08-11 EP claimed
WO-2020070410-A1 COSMETIC COMPOSITION IN THE FORM OF A WATER-IN-OIL EMULSION FOR TREATING HAIR TO IMPROVE COMBING SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2020-04-09 WO claimed