SCHEMBL598356

SCHEMBL598356

Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(C(N)=O)CC2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
ITGB1 P05556 3/20 0.45
ITGA4 P13612 3/20 0.45
UBE2N P61088 1/20 0.45
ITGB7 P26010 1/20 0.45
YAP1 P46937 2/20 0.44
CASP3 P42574 4/20 0.42
PSMB11 A5LHX3 3/20 0.41
PSMA7 O14818 3/20 0.41
PSMB1 P20618 3/20 0.41
PSMA1 P25786 3/20 0.41
PSMA2 P25787 3/20 0.41
PSMA3 P25788 3/20 0.41
PSMA4 P25789 3/20 0.41
PSMB8 P28062 3/20 0.41
PSMB9 P28065 3/20 0.41
PSMA5 P28066 3/20 0.41
PSMB4 P28070 3/20 0.41
PSMB6 P28072 3/20 0.41
PSMB5 P28074 3/20 0.41

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
SCHEMBL23230085 1.00 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL20815350 1.00 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL29371746 1.00 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL6840497 1.00 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL4648918 0.99 MAPK1 (0.44) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL24868206 0.95 ITGB1 (0.50) MAPK1ITGB1ITGA4ITGB7YAP1
Potassium Ion SCHEMBL4648916 0.94 UBE2N (0.41) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL3744009 0.92 MAPK1 (0.44) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL22023402 0.92 MAPK1 (0.44) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL6480786 0.92 MAPK1 (0.44) MAPK1ITGB1ITGA4UBE2NITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US claimed
EP-1487417-A2 DRY POWDER MEDICAMENT FORMULATIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
US-20040241232-A1 Dry powder medicament formulations GLAXO GROUP LIMITED (GB) 2004-12-02 US claimed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
US-20040091407-A1 Novel process for preparing crystalline particles SMITHKLINE BEECHAM CORPORATION 2004-05-13 US claimed
US-20040044035-A1 Novel aqueous anti-inflammatory pharmaceutical formulation SMITHKLINE BEECHAM CORPORATION 2004-03-04 US claimed
US-20040039020-A1 Inhalants comprising suspensions of (2S)-3-(4-(((4-(amino-carbonyl)-1-piperidinyl)carbonyl)oxy)phenyl)-2-((2-(2 -methyl phenoxy)acetyl)amino)pentanoyl)amino) propanoic acid and surfactants, used for prophylaxis of respiratory disorders SMITHKLINE BEECHAM CORPORATION 2004-02-26 US claimed
US-20040037784-A1 Dry-powder pharmaceutical formulation for inhalation comprising alpha4-integrin antagonist SMITHKLINE BEECHAM CORPORATION 2004-02-26 US claimed
US-20040039021-A1 Organic fluorine compounds as propellants having suspended particles of 3-(4-(((4-(aminocarbonyl)-1-piperidinyl)carbonyl) oxy)phenyl)-2-(((2S)-4-methyl-2-((2-(2-methylphenoxy)acetyl)am ino)pentanoyl)amino)propanoic acid, in cans; inhalants SMITHKLINE BEECHAM CORPORATION 2004-02-26 US claimed
US-20040034058-A1 Novel pharmaceutical formulation suitable for nebulisation SMITHKLINE BEECHAM CORPORATION 2004-02-19 US claimed
WO-2002000200-A1 NOVEL PROCESS FOR PREPARING CRYSTALLINE PARTICLES GLAXO GROUP LIMITED (GB) 2002-01-03 WO claimed
WO-2001095883-A1 NOVEL PHARMACEUTICAL FORMULATION SUITABLE FOR NEBULISATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO claimed
WO-2001095882-A1 NOVEL AQUEOUS ANTI-INFLAMMATORY PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO claimed
WO-2001095925-A1 PHARMACEUTICAL ANTI-INFLAMMATORY AEROSOL FORMULATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO claimed
WO-2001095880-A1 NOVEL PHARMACEUTICAL FORMULATION SUITABLE FOR NEBULISATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO claimed
WO-2001095881-A1 PHARMACEUTICAL ANTI-INFLAMMATORY AEROSOL FORMULATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO claimed
WO-2001095879-A1 NOVEL AQUEOUS ANTI-INFLAMMATORY PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO claimed
WO-2001095885-A1 DRY-POWDER PHARMACEUTICAL FORMULATION FOR INHALATION COMPRISING ALPHA4-INTERGRIN ANTAGONIST GLAXO GROUP LIMITED (GB) 2001-12-20 WO claimed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP claimed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO claimed