SCHEMBL5317690

SCHEMBL5317690

C=C(C(=O)OCC)c1ccccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TSHR P16473 3/20 0.46
NLRP3 Q96P20 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DHODH Q02127 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL7231816 0.84 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1TSHRNLRP3
SCHEMBL28550894 0.84 TSHR (0.54) ALDH1A1GAAL3MBTL1TSHRMAPT
SCHEMBL28648724 0.83 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1TSHRNLRP3
SCHEMBL27999131 0.83 GAA (0.44) ALDH1A1GAAL3MBTL1TSHRMAPT
SCHEMBL120324 0.81 TSHR (0.67) ALDH1A1GAAL3MBTL1TSHRNLRP3
SCHEMBL21065586 0.79 TSHR (0.53) ALDH1A1GAATSHRMAPTMEN1
SCHEMBL27846255 0.79 LMNA (0.40) ALDH1A1GAAL3MBTL1TSHRMAPT
SCHEMBL27941537 0.78 GAA (0.52) ALDH1A1GAAL3MBTL1TSHRNLRP3
SCHEMBL28309440 0.78 CA12 (0.51) ALDH1A1GAAL3MBTL1TSHRNLRP3
SCHEMBL2491073 0.78 TSHR (0.52) ALDH1A1GAATSHRMAPTMEN1

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-115341304-A Constant-temperature mite-killing antibacterial fiber and preparation method thereof 江苏洁瑞雅纺织品有限公司 2022-11-15 CN claimed
CN-117299202-A Quaternary ammonium ion liquid hybridized MCM-41 solid base catalyst and preparation method thereof 常州大学 2023-12-29 CN disclosed
CN-112495438-B Preparation method of super-strong fiber loaded acid-base bifunctional catalyst 河南理工大学 2023-04-07 CN disclosed
CN-112495438-A Preparation method of super-strong fiber loaded acid-base bifunctional catalyst 河南理工大学 2021-03-16 CN disclosed
CN-103002735-B Modulators of 5-ht receptors and methods of use thereof ABBVI CO 2015-05-20 CN disclosed
CN-102114433-B Supported arsine catalyst as well as synthesizing method and application thereof in Wittig reaction SHANGHAI INST ORGANIC CHEM 2013-06-19 CN disclosed
CN-103002735-A Modulators of 5-ht receptors and methods of use thereof ABBVI CO 2013-03-27 CN disclosed
CN-102114433-A Supported arsine catalyst as well as synthesizing method and application thereof in Wittig reaction SHANGHAI INST ORGANIC CHEM 2011-07-06 CN disclosed
WO-2007057780-A2 METHOD FOR MAKE-UP OR CARE OF KERATINOUS MATERIALS WITH ELECTROPHILIC MONOMER L'OREAL (FR) 2007-05-24 WO disclosed