SCHEMBL1310656

SCHEMBL1310656

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.48
PTPN1 P18031 4/20 0.47
AGTR2 P50052 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 1/20 0.46
GPR132 Q9UNW8 4/20 0.45
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42

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
SCHEMBL1310658 1.00 ACE (0.48) ACEPTPN1AGTR2ITGB3ITGA2B
SCHEMBL10522885 0.91 ACE (0.52) ACEPTPN1AGTR2GPR132CA2
SCHEMBL5717643 0.90 HPGDS (0.46) CA1KMT2A
SCHEMBL9828763 0.88 PIN1 (0.43) PTPN1GPR132CA2CA1KMT2A
SCHEMBL11273089 0.88 CA2 (0.52) PTPN1GPR132CA2CA1
SCHEMBL9828758 0.88 PIN1 (0.43) PTPN1GPR132CA2CA1KMT2A
SCHEMBL11273085 0.88 CA2 (0.52) PTPN1GPR132CA2CA1
SCHEMBL9829179 0.88 GPR139 (0.47) ACEAGTR2KMT2A
SCHEMBL9829196 0.88 GPR139 (0.47) ACEAGTR2KMT2A
SCHEMBL10586736 0.87 PIN1 (0.59) GPR132CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573895-B Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2020-11-24 CN claimed
CN-106573895-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2017-04-19 CN claimed
EP-3148973-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF Tetrahedron (FR) 2017-04-05 EP claimed
WO-2015181507-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF TETRAHEDRON (FR) 2015-12-03 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
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-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
CN-112194632-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2021-01-08 CN disclosed
CN-106573895-B Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2020-11-24 CN disclosed
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP disclosed
CN-108066364-A Synthetic camel organ extract, its preparation method and application 兰多夫·里姆施耐德 2018-05-25 CN disclosed
US-9630949-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-04-25 US disclosed
WO-1993010802-A1 AQUEOUS SYNTHETIC ORGAN EXTRACTS RIEMSCHNEIDER RANDOLPH (DE) 1993-06-10 WO disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
US-4745124-A THIO/ESTER PEPTIDES UNIVERSITY OF MIAMI (US) 1988-05-17 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed
EP-0009898-B1 NOVEL ANTI-HYPERTENSIVE MERCAPTOACYLAMINO ACID DERIVATIVES, THEIR PREPARATION AND USE UNIVERSITY OF MIAMI (US) 1983-05-18 EP disclosed