SCHEMBL42974

SCHEMBL42974

NCC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MAPK1 P28482 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
TDP1 Q9NUW8 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 2/20 0.52
HCAR2 Q8TDS4 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CDC25B P30305 1/20 0.50
SLC15A1 P46059 1/20 0.49

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
Bromide SCHEMBL7209454 0.98 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Hydrochloric Acid SCHEMBL42973 0.98 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Ethylene SCHEMBL29161557 0.96 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Hydrochloric Acid SCHEMBL3885829 0.96 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27544552 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL29901844 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL8758619 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Toluene SCHEMBL27392908 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Trifluoroacetic Acid SCHEMBL22830136 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL28193553 0.88 LTA4H (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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 1928 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122011119-A Preparation method and application of bionic collagen cyclohexapeptide 成都欣肽生物科技有限公司 2026-05-12 CN claimed
CN-119775348-A Preparation method of polypeptide Angstrom Pi Dalong acetate 深圳市第二人民医院(深圳市转化医学研究院) 2025-04-08 CN claimed
CN-119219500-A Intermediate of 2, 3-dimethylcyclopropylcarboxylic acid and synthetic method thereof 南通诺泰生物医药技术有限公司 2024-12-31 CN claimed
CN-119118928-A As prolyl hydroxylase cinnolines as inhibitors 苏中药业集团股份有限公司 2024-12-13 CN claimed
CN-118852337-A Antitumor drug and preparation method thereof 广西中医药大学 2024-10-29 CN claimed
CN-118085016-B Preparation method of D-phenylglycinyl-glycine 天津卡普希科技有限公司 2024-07-30 CN claimed
CN-118085016-A Preparation method of D-phenylglycinyl-glycine 天津卡普希科技有限公司 2024-05-28 CN claimed
CN-117700476-A Synthesis method of seleno-glutathione 江苏道思麦生物科技有限公司 2024-03-15 CN claimed
CN-113912524-B Polypeptide compound containing sulfur amide and synthesis method thereof 华东师范大学 2023-12-01 CN claimed
CN-116640068-A Synthesis method of (3-cyclopropyl-2-alkyne-1-yl) benzyl glycinate 康化(上海)新药研发有限公司 2023-08-25 CN claimed
EP-0636117-A1 USE OF PYRUVAMIDE AND SELECTED PYRUVYL-AMINO ACIDS ABBOTT LABORATORIES (US) 1995-02-01 EP claimed
CN-1095069-A Novel process for the preparation and/or purification of clavulanic acid or pharmaceutically acceptable salts or esters thereof SMITHKLINE BEECHAM PLC (GB) 1994-11-16 CN claimed
WO-1994021242-A1 METHODS FOR THE TREATMENT OF OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY (US) 1994-09-29 WO claimed
EP-0565646-A4 1994-08-03 EP claimed
WO-1993021147-A1 METHOD OF ADMINISTERING PYRUVATE AND METHODS OF SYNTHESIZING PYRUVATE PRECURSORS ABBOTT LABORATORIES (US) 1993-10-28 WO claimed
EP-0565646-A1 NUCLEOSIDES AND OLIGONUCLEOSIDES WITH A PHOSPHATE-FREE INTERNUCLEOSIDE BACKBONE AND PROCESS FOR PREPARING THE SAME BAYLOR COLLEGE OF MEDICINE (US) 1993-10-20 EP claimed
WO-1992018518-A1 NUCLEOSIDES AND OLIGONUCLEOSIDES WITH A PHOSPHATE-FREE INTERNUCLEOSIDE BACKBONE AND PROCESS FOR PREPARING THE SAME BAYLOR COLLEGE OF MEDICINE (US) 1992-10-29 WO claimed
EP-0186947-B1 PARAMAGNETIC CONTRAST AGENTS FOR USE IN \"IN VIVO\" DIAGNOSTIC METHODS USING NMR, AND THEIR PREPARATION NYCOMED AS (NO) 1990-07-11 EP claimed
US-4625016-A 4-HYDROXYPROLINE POLYESTERS AND POLYPEPTIDES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 1986-11-25 US claimed
US-4579685-A REACTING A 1-SUBSTITUTED-2-AMINOBENZOPHENONEIMINE WITH A GLYCINE ESTER, AND TREATING WITH AN ACID SHIONOGI & CO., LTD. (JP) 1986-04-01 US claimed