SCHEMBL5317693

SCHEMBL5317693

CCOC(=O)C=Cc1ccccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NLRP3 Q96P20 1/20 0.45
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
CYP3A4 P08684 2/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
MDM2 Q00987 1/20 0.43

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
SCHEMBL8050356 1.00 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1CA12CA1
SCHEMBL1399174 0.90 GAA (0.48) ALDH1A1GAAL3MBTL1CA12CA1
SCHEMBL1399096 0.90 GAA (0.48) ALDH1A1GAAL3MBTL1CA12CA1
SCHEMBL28414558 0.89 CCNC (0.46) ALDH1A1GAAL3MBTL1CA12CA1
SCHEMBL28645173 0.89 APP (0.47) ALDH1A1GAAL3MBTL1LMNAKDM4E
SCHEMBL28653578 0.89 APP (0.47) ALDH1A1GAAL3MBTL1LMNAKDM4E
SCHEMBL4623066 0.86 APP (0.49) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL4623064 0.86 APP (0.49) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL28650880 0.85 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1MAPTLMNA
SCHEMBL28650877 0.85 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1MAPTLMNA

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-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-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed
CN-107674013-B Polycyclic compound, preparation method, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2022-05-24 CN disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
CN-107674013-A Polycyclic compound, its preparation method, pharmaceutical composition and application 上海迪诺医药科技有限公司 2018-02-09 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
US-4564479-A PALLADIUM COMPOUND, PHOSPHORUS OR ARSENIC COMPOUND CIBA-GEIGY CORPORATION (US) 1986-01-14 US disclosed