SCHEMBL7635885

SCHEMBL7635885

C=CC(=O)NCC(O)C(C)Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TGM2 P21980 1/20 0.33
CYP2C19 P33261 2/20 0.30
CYP2D6 P10635 1/20 0.30
CNR2 P34972 3/20 0.30
PPARG P37231 2/20 0.30
PPARD Q03181 2/20 0.30
PPARA Q07869 2/20 0.30
CNR1 P21554 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL9889643 0.83 ALDH1A1 (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17267140 0.79
SCHEMBL14901 0.79
Hydrochloric Acid SCHEMBL29728684 0.78 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29245397 0.78
SCHEMBL28554680 0.78 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10965956 0.77
SCHEMBL18755013 0.77 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL372689 0.77
SCHEMBL12723737 0.77 TSHR (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6464850-B1 CAPILLARY AND MICROCHANNEL ELECTROPHORESIS; HYDROLYTICALLY STABLE,HIGH RESOLUTION; HOMO OR COPOLYMER OF N-(2-HYDROXY ETHYL)ACRYLAMIDE, N-(2-HYDROXYETHYL) METHACRYLAMIDE, N,N-DI(HYDROXYALKYL)ACRYLAMIDE; SUPPRESSES ELECTROENDOOSMOSIS BIOWHITTAKER MOLECULAR APPLICATIONS, INC. 2002-10-15 US disclosed
US-6117293-A MONOMERS AND CROSSLINKER FOR PREPARING AN ELECTROPHORETIC GEL COMPRISES 75 WEIGHT % OR MORE OF HYDROPHILLIC MONOMER SELECTED FROM N-HYDROXYETHYL(METH)ACRYLAMIDE OR N,N-DIHYDROXYALKYL(METH)ACRYLAMIDE BIOWHITTAKER MOLECULAR APPLICATIONS, INC. (US) 2000-09-12 US disclosed