SCHEMBL7101991

SCHEMBL7101991

COc1ccc(C(CC(=O)O)NC(=O)C(CC(C)C)N2C(=O)N(Cc3ccc(NC(=O)Nc4ccccc4C)cc3)C3(CCCCC3)C2=O)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.39
ITGA4 P13612 19/20 0.39
ITGB7 P26010 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
SCHEMBL1823301 1.00 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL1821147 0.99 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL1821359 0.95 HIF1A (0.36)
SCHEMBL1820629 0.95 HIF1A (0.36)
SCHEMBL1821149 0.94 ITGB1 (0.38) ITGB1ITGA4
SCHEMBL1821054 0.92 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL7106236 0.92 ITGB1 (0.39) ITGB1ITGA4ITGB7
SCHEMBL1818339 0.91 ITGB1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL7106468 0.91 ITGB1 (0.41) ITGB1ITGA4ITGB7
SCHEMBL7416547 0.91 ITGB1 (0.48) ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP claimed