SCHEMBL6129393

SCHEMBL6129393

C=CC(=O)NC(CO)CCCl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.33
CNR1 P21554 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL275353 0.83 TSHR (0.52) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL6251762 0.81 TAS1R3 (0.49) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL2938364 0.76 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL21909974 0.76 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL5823623 0.76 TSHR (0.45) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL22035779 0.74 TSHR (0.43) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL12323325 0.74 TSHR (0.43) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL28148777 0.74 TSHR (0.54) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL28291141 0.74 TGFBR1 (0.32)
SCHEMBL27337787 0.72 TSHR (0.45) TSHRALDH1A1MAPK1TDP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1101101-A4 METHOD FOR PRODUCING HYDROPHILIC MONOMERS AND USES THEREOF BIOWHITTAKER MOLUCULAR APPLIC (US) 2005-10-19 EP disclosed
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
EP-1101101-A1 METHOD FOR PRODUCING HYDROPHILIC MONOMERS AND USES THEREOF Biowhittaker Molucular Applications, Inc. (US) 2001-05-23 EP 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
WO-2000007002-A1 METHOD FOR PRODUCING HYDROPHILIC MONOMERS AND USES THEREOF BIOWHITTAKER MOLECULAR APPLICATIONS, INC. (US) 2000-02-10 WO disclosed