SCHEMBL59840

SCHEMBL59840

NC(CC(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.59
GABBR1 Q9UBS5 1/20 0.59
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP2C19 P33261 1/20 0.53
SCN4A P35499 2/20 0.45
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
CPA1 P15085 1/20 0.44

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
SCHEMBL123765 1.00 GABBR2 (0.59) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL288753 1.00 GABBR2 (0.59) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL3874351 0.98 GABBR2 (0.57) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL4150999 0.98 GABBR2 (0.57) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL9386161 0.98 GABBR2 (0.57) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL2934796 0.98 GABBR2 (0.57) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
Acetamide SCHEMBL27677566 0.92 GABBR2 (0.52) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL7244087 0.90 GABBR2 (0.55) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL5846637 0.89 KMT2A (0.49) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL5845485 0.89 KMT2A (0.49) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19

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

Appears in 2002 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119913351-A Method for extracting iron element from red mud 中泥(山东)环保科技有限公司 2025-05-02 CN claimed
CN-109790114-B Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof 中国科学院上海药物研究所 2025-03-07 CN claimed
CN-118955306-B Improved process method of dapoxetine hydrochloride 广州市桐晖药业有限公司 2024-12-10 CN claimed
CN-118996022-A Organic leather tanning agent with covalent tanning characteristics, and preparation method and application thereof 四川德赛尔新材料科技有限公司 2024-11-22 CN claimed
CN-118955306-A Improved process method of dapoxetine hydrochloride 广州市桐晖药业有限公司 2024-11-15 CN claimed
CN-118496175-A TRADD inhibitor derivative and preparation method and application thereof 安徽医科大学 2024-08-16 CN claimed
CN-118459329-A Functionalized metal carboxylate and nanocrystalline polymer composite material prepared by using same 河北工业大学 2024-08-09 CN claimed
CN-113880721-B Synthesis method of dapoxetine 湖南九典制药股份有限公司 2024-05-28 CN claimed
CN-117362189-A N-methyl amino acid compound and preparation method thereof 南开大学 2024-01-09 CN claimed
WO-2023214011-A1 ENZYMATIC METHOD FOR PREPARING (R)-3-AMINO-4-ARYL-BUTANOIC ACID DERIVATIVES ENZYMICALS AG (DE) 2023-11-09 WO claimed
CN-1036832-C Composition containing a penem or carbapenem artibiotic and the use of the same SANKYO CO (JP) 1997-12-31 CN claimed
WO-1997044333-A1 1,2,4-OXADIAZOLES AS ADHESION-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1997-11-27 WO claimed
US-5656448-A Dipstick immunoassay device PRINCETON BIOMEDITECH CORPORATION (US) 1997-08-12 US claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0233155-A1 Aminoacyloxymethyl compounds CIBA-GEIGY AG (CH) 1987-08-19 EP claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use 1987-05-20 CN claimed
US-4308269-A ANTITUMOUR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US claimed
EP-0021173-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP claimed