SCHEMBL4659671

SCHEMBL4659671

CC(C)(C)OC(=O)C(O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.58
LAP3 P28838 4/20 0.57
ANPEP P15144 3/20 0.51
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
SLC15A1 P46059 1/20 0.48
SLC7A5 Q01650 2/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
ATM Q13315 1/20 0.46
KLK5 Q9Y337 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL3927263 1.00 LTA4H (0.58) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL2848679 1.00 LTA4H (0.58) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL3915987 1.00 LTA4H (0.58) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL4730834 0.88 ITGA4 (0.48) LTA4HLAP3ANPEPITGA4ITGB7
SCHEMBL9052981 0.87 ITGA4 (0.45) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL11027685 0.85 SLC7A5 (0.46) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL8770458 0.85 LTA4H (0.46) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL5707507 0.85 METAP2 (0.58) LTA4HLAP3ANPEPITGA4ITGB7
SCHEMBL8144508 0.85 METAP2 (0.58) LTA4HLAP3ANPEPITGA4ITGB7
SCHEMBL6339522 0.84 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed
EP-0405537-B1 N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives WARNER LAMBERT CO (US) 2004-09-08 EP disclosed
US-5736517-A ADMINISTERING TO TREAT COLON, PROSTATE OR BREAST CANCER BIOMEASURE, INC. (US) 1998-04-07 US disclosed
US-5631281-A COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES WARNER-LAMBERT COMPANY (US) 1997-05-20 US disclosed
US-5622983-A ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5580896-A Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives WARNER-LAMBERT COMPANY (US) 1996-12-03 US disclosed
US-5278316-A Indoles WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
US-5244905-A Gastric antisecretory, antipsychotic, appetite suppressants WARNER-LAMBERT COMPANY (US) 1993-09-14 US disclosed
US-5122610-A Renin inhibitor intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-06-16 US disclosed
EP-0479910-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp-Phe- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-04-15 EP disclosed
WO-1992004348-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOAKYL POLYHYDRO-Β-CARBOLINE-PHENYLALANINE-AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed
WO-1991000274-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1991-01-10 WO disclosed
EP-0356796-A2 Aminomethyl peptides, production process and their use as medicaments BAYER AG (DE) 1990-03-07 EP disclosed