SCHEMBL7380413

SCHEMBL7380413

CC(C)(C)OC(=O)OC(=O)[C@@H](N)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
SLC1A1 P43005 1/20 0.49
CTSS P25774 1/20 0.46
PPARG P37231 1/20 0.45
LTA4H P09960 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CA1 P00915 3/20 0.41
TACR1 P25103 2/20 0.41
SYK P43405 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL5860435 1.00 PPARA (0.49) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL7338978 0.89 SLC1A1 (0.54) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL2584804 0.89 SLC1A1 (0.54) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL4220523 0.89 SLC1A1 (0.54) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL11725850 0.88 LTA4H (0.43) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL8148827 0.87 LTA4H (0.47) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL11387995 0.83 SLC7A5 (0.51) SLC1A1CTSSLTA4HSLC7A5
SCHEMBL28119342 0.81 LTA4H (0.52) SLC1A1LTA4HSLC7A5SYKL3MBTL1
SCHEMBL28119343 0.81 LTA4H (0.52) SLC1A1LTA4HSLC7A5SYKL3MBTL1
SCHEMBL16200527 0.80 SLC1A1 (0.59) SLC1A1SLC7A5CA1TACR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63190900-A None JP disclosed
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed
EP-0474273-B1 A polypeptide capable of interacting with thrombin ASAHI CHEMICAL IND (JP) 1996-11-13 EP disclosed
US-5574007-A Polypeptide capable of interacting with thrombin ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-12 US disclosed
EP-0679658-A1 ENDOTHELIN-ANTAGONIZING PEPTIDE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-02 EP disclosed
US-5212287-A Multistage synthesis of oligopeptides with protection of side groups then deprotection after reaction IMMUNETECH PHARMACEUTICALS, INC. (US) 1993-05-18 US disclosed
EP-0474273-A2 A polypeptide capable of interacting with thrombin Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-11 EP disclosed
EP-0403600-A4 DEPROTECTION OF PROTECTED PEPTIDES 1991-03-13 EP disclosed
EP-0403600-A1 DEPROTECTION OF PROTECTED PEPTIDES THE ROCKEFELLER UNIVERSITY (US) 1990-12-27 EP disclosed
WO-1990002138-A1 DEPROTECTION OF PROTECTED PEPTIDES THE ROCKEFELLER UNIVERSITY (US) 1990-03-08 WO disclosed
US-4314998-A 6-Deoxyglucosamine-peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-09 US disclosed
US-4285857-A Cyclic analogues of callidine CHIPENS GUNAR I 1981-08-25 US disclosed
US-4272432-A Claudogenic-interceptive nonapeptide AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-09 US disclosed
US-4209441-A Anti-gastric secretion polypeptide AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 US disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed
US-4028315-A Solid phase synthesis of peptides E. R. SQUIBB & SONS, INC. (US) 1977-06-07 US disclosed
US-4000259-A DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-28 US disclosed
US-3992530-A [D-2-(1,4-Cyclohexadienyl)gly]6 -des-gly10 -lrh nonapeptide amides AMERICAN HOME PRODUCTS CORPORATION (US) 1976-11-16 US disclosed
US-3987014-A SECRETIN INTERMEDIATES AND DERIVATIVES BECTON, DICKINSON AND COMPANY (US) 1976-10-19 US disclosed
US-3974135-A Synthetic decapeptide having the activity of the luteinizing hormone releasing hormone and method for producing the same FOLKERS KARL 1976-08-10 US disclosed