SCHEMBL28817682

SCHEMBL28817682

C=CC(=O)NC(C)C(C)S(=O)(=O)O.[KH]

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CYP2C19 P33261 1/20 0.33
TGM2 P21980 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACACB O00763 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
SCHEMBL27742 0.98 TSHR (0.54) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
SCHEMBL4669469 0.96 TSHR (0.52) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
SCHEMBL28817695 0.96 TSHR (0.52) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
Acrylic Acid SCHEMBL30618218 0.93 TSHR (0.48) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
Crotonic Acid SCHEMBL27621304 0.85 TSHR (0.42) TSHRALDH1A1
SCHEMBL285065 0.81 TSHR (0.52) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
Potassium Ion SCHEMBL28817684 0.79 TSHR (0.50) TSHRCYP2C19TGM2ALDH1A1MAPK1
Lithium Ion SCHEMBL28817701 0.79 TSHR (0.50) TSHRCYP2C19TGM2ALDH1A1MAPK1
SCHEMBL4669468 0.79 TSHR (0.50) TSHRCYP2C19TGM2ALDH1A1MAPK1
SCHEMBL4717790 0.79 TSHR (0.50) TSHRCYP2C19TGM2ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114774093-B Organic-inorganic composite polymer for improving shear force of water-based drilling fluid and preparation method thereof 重庆科技学院 2023-08-15 CN claimed
CN-114774093-A Organic-inorganic composite polymer for improving shear force of water-based drilling fluid and preparation method thereof 重庆科技学院 2022-07-22 CN claimed
CN-114774093-B Organic-inorganic composite polymer for improving shear force of water-based drilling fluid and preparation method thereof 重庆科技学院 2023-08-15 CN disclosed
CN-114774093-A Organic-inorganic composite polymer for improving shear force of water-based drilling fluid and preparation method thereof 重庆科技学院 2022-07-22 CN disclosed