SCHEMBL7991533

SCHEMBL7991533

CC(C)(C)OC(=O)OC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.55
LAP3 P28838 1/20 0.54
PPARG P37231 4/20 0.48
PPARA Q07869 3/20 0.48
MAOB P27338 2/20 0.48
YAP1 P46937 2/20 0.48
LNPEP Q9UIQ6 3/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARD Q03181 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL7338836 0.90 LTA4H (0.65) LTA4HLAP3PPARGPPARAMAOB
SCHEMBL7338844 0.90 LTA4H (0.65) LTA4HLAP3PPARGPPARAMAOB
SCHEMBL7339057 0.90 LTA4H (0.65) LTA4HLAP3PPARGPPARAMAOB
SCHEMBL11387995 0.89 SLC7A5 (0.51) LTA4HPTGS1
SCHEMBL11349856 0.88 LTA4H (0.51) LTA4HLAP3YAP1LNPEP
SCHEMBL3925157 0.87 ACACB (0.46) LTA4HPPARGPPARAFFAR1PPARD
SCHEMBL7428506 0.87 LTA4H (0.63) LTA4HLAP3PPARGPPARAMAOB
SCHEMBL7378303 0.84 ITGA4 (0.45) LTA4H
SCHEMBL9842191 0.84 ITGA4 (0.45) LTA4H
SCHEMBL7806363 0.84 LTA4H (0.56) LTA4HLAP3PPARGPPARAMAOB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed
EP-0226158-B1 PEPTIDES CORRELATED TO LYSOZYME S P A SOCIETA' PRODOTTI ANTIBIOTICI S.p.a. (IT) 1992-06-10 EP disclosed
WO-1990000614-A1 RECEPTOR SPECIFIC PROTEINS AND THEIR USE IN RECEPTOR TYPING BAYLOR COLLEGE OF MEDICINE (US) 1990-01-25 WO disclosed
US-4882425-A CLASSIFICATION OF ERYTHROCYTE ANTIGENS BAYLOR COLLEGE OF MEDICINE (US) 1989-11-21 US disclosed
EP-0136720-B1 ENKEPHALIN ANALOGS G.D. Searle & Co. (US) 1989-09-20 EP disclosed
US-4784988-A OLIGO AND POLYPEPTIDES, ANALGESICS, VIRICIDES SPA SOCIETA' PRODOTTI ANTIBIOTICI S.P.A. (IT) 1988-11-15 US disclosed
US-4722922-A RENIN INHIBITION G. D. SEARLE & CO. (US) 1988-02-02 US disclosed
EP-0226158-A2 Peptides correlated to lysozyme S P A SOCIETA' PRODOTTI ANTIBIOTICI S.p.a. (IT) 1987-06-24 EP disclosed
US-4603121-A ANALGESICS G. D. SEARLE & CO. (US) 1986-07-29 US disclosed
EP-0136720-A2 Enkephalin analogs G.D. Searle & Co. (US) 1985-04-10 EP disclosed
US-4495178-A Enkephalin analogs G. D. SEARLE & CO. (US) 1985-01-22 US disclosed
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 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-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