SCHEMBL3077692

SCHEMBL3077692

C=CC(=O)NCC(C)C(NC(=O)C=C)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
TGM2 P21980 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
SCHEMBL2031086 0.83 TSHR (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL9606649 0.82 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11694184 0.81 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1901919 0.79 TSHR (0.43) TSHRZDHHC20ZDHHC2
SCHEMBL162366 0.79 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1775598 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL687556 0.78 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
Lithium SCHEMBL38660899 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ammonia Solution, Strong SCHEMBL7618985 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3952450 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233196-A1 METHOD FOR PREPARING A VACCINE COMPOSITION COMPRISING AT LEAST ONE ANTIGEN AND AT LEAST ONE ADJUVANT SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2010-09-16 US claimed
US-9795565-B2 Method for preparing a vaccine composition comprising at least one antigen and at least one adjuvant Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2017-10-24 US disclosed
US-20100233196-A1 METHOD FOR PREPARING A VACCINE COMPOSITION COMPRISING AT LEAST ONE ANTIGEN AND AT LEAST ONE ADJUVANT SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2010-09-16 US disclosed