SCHEMBL218262

SCHEMBL218262

NC(CO)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IDO1 P14902 1/20 0.51
SLC15A1 P46059 1/20 0.49
LTA4H P09960 1/20 0.49
LAP3 P28838 1/20 0.49
SLC1A1 P43005 4/20 0.49
SLC1A3 P43003 3/20 0.49
SLC1A2 P43004 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALPI P09923 1/20 0.48

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
SCHEMBL218263 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL540214 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL3259892 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL543358 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL1368802 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Trifluoroacetic Acid SCHEMBL27745869 0.91 SLC15A1 (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12614963 0.88 TSHR (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12614096 0.88 TSHR (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12614965 0.88 TSHR (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL19331556 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813518-A Synthesis method of nemaltevir chiral intermediate 江苏暨明医药科技有限公司 2023-09-29 CN claimed
CN-112979695-B Method for preparing 1, 2-di-fatty acyl-sn-glycerol-3-phosphatidylserine 苏州昊帆生物股份有限公司 2022-04-12 CN claimed
WO-2021108790-A1 PURIFICATION OF REPTILIAN HYALURONIC ACID AND ITS USE FOR SOFT AND HARD TISSUE REPAIR AND REGENERATION LACERTA LIFE SCIENCES, LLC (US) 2021-06-03 WO claimed
CN-107556438-B Multi-responsive cross-linked polymer, drug-loaded nano micelle and preparation method thereof 西南民族大学 2020-05-12 CN claimed
CN-107698660-A Imidazopyridine -6- formyls-Lys (Lys)-oligopeptides, it is synthesized, activity and application 首都医科大学 2018-02-16 CN claimed
CN-106634704-A Anti-allergic medical pressure-sensitive adhesive and preparation process thereof 苏州艾博迈尔新材料有限公司 2017-05-10 CN claimed
CN-103159827-B (1R, 3S)-1-p-nitrophenyl-tetrahydro-beta-carboline amic acid, its synthesis, anti-thrombus activity and application Capital Medical University (CN) 2016-03-30 CN claimed
CN-105237619-A Imidazopyridine-6-formyl-Met-Ser-OBzl, synthesis, activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2016-01-13 CN claimed
CN-103159758-B (1S, 3S)-1-p-nitrophenyl-1,2,3,4-tetrahydro-beta-carboline amic acid, its synthesis, anti-thrombus activity and the application as antithrombotic agent Capital Medical University (CN) 2015-08-05 CN claimed
CN-102250202-B 1-paranitrophenyl-beta-carboline-3-formyl amine acid carbamates and synthesis method and use thereof UNIV CAPITAL MEDICAL SCIENCES 2013-08-28 CN claimed
CN-101906102-A Beta-carboline alkaloid derivative, preparation method and application thereof UNIV CAPITAL MEDICAL 2010-12-08 CN claimed
CN-101597289-A 2-tryptophyl-beta-tetrahydro carboline-3-formyol amino-acid benzyl ester and its production and application UNIV CAPITAL MEDICAL (CN) 2009-12-09 CN claimed
CN-101597290-A β-Ka Lin-3-formyl tryptophyl amino-acid benzyl ester and its production and application UNIV CAPITAL MEDICAL (CN) 2009-12-09 CN claimed
CN-101497615-A Substituted purine, preparation and use in medicine XINCHANG PHARMACEUTICAL FACTORY ZHEJIANG MEDICINE CO LTD (CN) 2009-08-05 CN claimed
CN-1675169-A Derivatives of glycinergic R(+)-2-amino-3-hydroxypropanoic acid PRESTWICK PHARMACEUTICALS INC (US) 2005-09-28 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-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