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 — —
SCHEMBL29245397 0.78 — —
Hydrochloric Acid SCHEMBL29728684 0.78 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
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
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