SCHEMBL216744

SCHEMBL216744

C[C@@H](O)[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SLC15A1 P46059 1/20 0.52
LTA4H P09960 3/20 0.50
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LAP3 P28838 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.48
CTSL P07711 1/20 0.47

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
SCHEMBL14908325 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL216743 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL17878731 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL8232952 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL12053128 1.00 ALDH1A1 (0.55) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL29400943 0.98 ALDH1A1 (0.53) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL17389326 0.98 ALDH1A1 (0.53) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL6178492 0.98 ALDH1A1 (0.53) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL17389325 0.98 ALDH1A1 (0.53) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2
Oxalic Acid SCHEMBL3340626 0.97 ALDH1A1 (0.51) ALDH1A1SLC15A1LTA4HSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878598-B Preparation method of nucleoside modified ascaroside pheromone 云南大学 2024-11-26 CN claimed
CN-118878598-A Preparation method of nucleoside modified ascaroside pheromone 云南大学 2024-11-01 CN claimed
CN-117586336-A Synthesis method and application of difficult polypeptide 山东大学 2024-02-23 CN claimed
CN-104098650-B The synthesis and application of the intermediate of Atosiban 中国医学科学院药物研究所 2019-04-09 CN claimed
CN-109563144-A Compound (I) M3生物技术公司 2019-04-02 CN claimed
CN-102241693-B N,N'-di-(1-methyl-beta-carboline-3-formyl)-lysly aminoacid benzyl esters, synthetic method thereof and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-08-28 CN claimed
CN-102241675-B (1R,3S)-1-(4-hydroxyl-3-methoxycarboxyl)-1,2,3,4-tetrahydro-beta-carboline-3-formyl amino acid derivatives as well as preparation method and application thereof UNIV CAPITAL MEDICAL 2013-06-19 CN claimed
CN-102241674-B Synthesis method and antitumor activity evaluation of 1,1-dimethyl-beta-carboline-3-formacyl amino acid benzyl ester UNIV CAPITAL MEDICAL 2012-09-12 CN claimed
CN-101906102-B Beta-carboline alkaloid derivative, preparation method and application thereof UNIV CAPITAL MEDICAL 2012-08-29 CN claimed
CN-102503850-A Hydroxyl-contained N-acylamino acid and preparation method thereof UNIV TIANJIN 2012-06-20 CN claimed
CN-100494196-C Indole alkaloid derivative, and its preparing method and use UNIV CAPITAL MEDICAL (CN) 2009-06-03 CN claimed
CN-1329367-C Producing process for threonine benzyl ester oxalate SICHUAN SANGAO BIOCHEMICAL CO (CN) 2007-08-01 CN claimed
CN-1743327-A Indole alkaloid derivative, and its preparing method and use CAPITAL MEDICAL UNIV (CN) 2006-03-08 CN claimed
CN-1524846-A Producing process for threonine benzyl ester oxalate 四川三高生化股份有限公司 2004-09-01 CN claimed
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US claimed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP claimed
EP-0565646-A4 1994-08-03 EP claimed
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP 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