SCHEMBL8373316

SCHEMBL8373316

C=CC(=O)NC(C)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
ALDH1A1 P00352 4/20 0.38
FGFR4 P22455 1/20 0.38
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 2/20 0.33
TGM2 P21980 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8373317 1.00 TSHR (0.60) TSHRALDH1A1FGFR4CYP2C19MAPK1
SCHEMBL29037430 0.84 TSHR (0.47) TSHRALDH1A1FGFR4MAPK1TDP1
SCHEMBL26095375 0.80 TSHR (0.58) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL21368255 0.80 TSHR (0.58) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL21629443 0.80 TSHR (0.58) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL1081350 0.79 TSHR (0.62) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL4116841 0.79 TSHR (0.62) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL8216369 0.79 TSHR (0.62) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL1647678 0.79 TSHR (0.62) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL15226591 0.79 TSHR (0.62) TSHRALDH1A1CYP2C19MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885391-B Supramolecular hydrogel based on double hydrogen bonds and preparation method thereof 天津大学 2021-09-07 CN claimed
CN-110885391-B Supramolecular hydrogel based on double hydrogen bonds and preparation method thereof 天津大学 2021-09-07 CN disclosed
CN-110885391-A Supramolecular hydrogel based on double hydrogen bonds and preparation method thereof 天津大学 2020-03-17 CN disclosed
EP-2668039-B1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2015-06-03 EP disclosed
US-20130298792-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2013-11-14 US disclosed
US-20130298792-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2013-11-14 US disclosed
US-5883211-A Thermoreversible hydrogels comprising linear copolymers and their use in electrophoresis ACLARA BIOSCIENCES, INC. (US) 1999-03-16 US disclosed
WO-1997040078-A1 THERMOREVERSIBLE HYDROGELS COMPRISING NON-CROSSLINKED COPOLYMERS AND THEIR USE IN ELECTROPHORESIS SOANE BIOSCIENCES (US) 1997-10-30 WO disclosed