SCHEMBL1818339

SCHEMBL1818339

COc1ccc([C@H](CC(=O)O)NC(=O)[C@H](CC2CC2)N2C(=O)N(Cc3ccc(NC(=O)Nc4ccccc4C)cc3)C3(CCCCC3)C2=O)c(OC)c1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.38
ITGA4 P13612 17/20 0.38
ITGB7 P26010 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CCR3 P51677 1/20 0.35

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
SCHEMBL1821054 0.99 ITGB1 (0.39) ITGB1ITGA4ITGB7L3MBTL1CCR3
SCHEMBL7106236 0.99 ITGB1 (0.39) ITGB1ITGA4ITGB7L3MBTL1CCR3
SCHEMBL1818342 0.94 L3MBTL1 (0.35) ITGB1ITGA4ITGB7L3MBTL1CCR3
SCHEMBL1821147 0.92 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL1823301 0.91 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL7101991 0.91 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL7099758 0.89 ITGB1 (0.48) ITGB1ITGA4ITGB7
SCHEMBL1818220 0.89 ITGB1 (0.48) ITGB1ITGA4ITGB7
SCHEMBL1821359 0.86 HIF1A (0.36)
SCHEMBL1820629 0.86 HIF1A (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4686029-B2 2011-05-18 JP claimed
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP claimed
JP-2002544261-A 2002-12-24 JP claimed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US claimed
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP claimed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 WO claimed
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US disclosed