SCHEMBL4116841

SCHEMBL4116841

C=CC(=O)NC(C)[C](C)C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 6/20 0.36
ACACB O00763 2/20 0.36
F13A1 P00488 1/20 0.32
LMNA P02545 1/20 0.32
TGM1 P22735 1/20 0.32
TGM3 Q08188 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL8216369 0.86 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL1081350 0.81 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL15226591 0.81 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL1647678 0.81 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL28632703 0.79 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL31242446 0.79 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL8373317 0.79 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL8373316 0.79 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL5249185 0.79 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL296002 0.79 TSHR (0.54) TSHRCYP2C19ALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed
CN-107057256-A Copolymer and the hydrophilic material comprising the copolymer 三井化学株式会社 2017-08-18 CN disclosed
CN-107043440-A Copolymer and the hydrophilic material comprising the copolymer 三井化学株式会社 2017-08-15 CN disclosed
CN-106574099-A Hydrophilic material comprising sulfonate copolymer and amino resin 三井化学株式会社 2017-04-19 CN disclosed
CN-105102498-B Copolymer and hydrophilic material comprising the same 三井化学株式会社 2017-04-12 CN disclosed
CN-103842401-B Compositions and the film formed by it 三井化学株式会社 2016-12-21 CN disclosed
CN-105073917-B The film formed by copolymer or compositions 三井化学株式会社 2016-11-02 CN disclosed
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 CN disclosed
US-20090231402-A1 INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed