SCHEMBL5175196

SCHEMBL5175196

N=C(N)NC(C=O)CCOc1ccc(C[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.43
ITGA2B P08514 16/20 0.43
LMNA P02545 1/20 0.41
ITGAV P06756 1/20 0.40
PPARG P37231 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37

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
SCHEMBL5174469 0.93 ITGB3 (0.42) ITGB3ITGA2BLMNAITGAVPPARG
SCHEMBL4832623 0.83 ITGB3 (0.46) ITGB3ITGA2BLMNAITGAV
SCHEMBL4894038 0.83 LMNA (0.42) ITGB3ITGA2BLMNAITGAVPPARG
SCHEMBL7046619 0.77 LMNA (0.48) ITGB3ITGA2BLMNAITGAV
SCHEMBL4834857 0.77 ITGB3 (0.46) ITGB3ITGA2BLMNAITGAVITGB1
SCHEMBL4876032 0.76 ITGB3 (0.45) ITGB3ITGA2BLMNAITGAV
SCHEMBL4832505 0.76 ITGB3 (0.45) ITGB3ITGA2BLMNAITGAV
SCHEMBL4894047 0.75 LMNA (0.43) ITGB3ITGA2BLMNAITGAVITGB1
SCHEMBL14316415 0.74 ACACB (0.42)
SCHEMBL14253141 0.73 ITGB3 (0.41) ITGB3ITGA2BITGAVITGB1ITGA4

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-0820991-B1 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AG (DE) 2007-08-29 EP claimed