SCHEMBL6276560

SCHEMBL6276560

CC(C)(C)OC(=O)N[C@H](Cc1ccc(I)c(Cl)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.56
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
CTSL P07711 1/20 0.51
PTPN1 P18031 1/20 0.51
PPARA Q07869 6/20 0.50
PPARG P37231 5/20 0.50
CTSS P25774 7/20 0.48
CTSK P43235 6/20 0.48
CTSB P07858 2/20 0.48
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
CA2 P00918 2/20 0.47
PPARD Q03181 2/20 0.47

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
SCHEMBL5893305 1.00 ACE (0.56) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL17580104 0.91 ACE (0.56) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL1311165 0.89 ACE (0.59) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL1529592 0.89 ACE (0.59) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL1748947 0.89 ACE (0.59) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL6898394 0.87 CA2 (0.61) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL15109826 0.87 CA2 (0.61) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL7850273 0.87 CA2 (0.61) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL5892631 0.86 ACE (0.56) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL9957484 0.86 PTPN1 (0.58) ACEITGB3ITGA2BCTSLPTPN1

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
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 WO disclosed