SCHEMBL6206115

SCHEMBL6206115

O=C(O)C(O)=CC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACLY P53396 14/20 0.58
ITGA1 P56199 1/20 0.52
HDAC1 Q13547 1/20 0.49
USP2 O75604 1/20 0.47
ALPL P05186 1/20 0.47
WDR5 P61964 1/20 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
SCHEMBL6206113 1.00 ACLY (0.58) ACLYITGA1HDAC1USP2ALPL
SCHEMBL6206114 1.00 ACLY (0.58) ACLYITGA1HDAC1USP2ALPL
SCHEMBL6207007 0.87 ITGA1 (0.69) ITGA1HDAC1USP2WDR5
SCHEMBL6204782 0.87 ITGA1 (0.69) ITGA1HDAC1USP2WDR5
SCHEMBL6207012 0.87 ITGA1 (0.69) ITGA1HDAC1USP2WDR5
SCHEMBL6204447 0.87 ITGA1 (0.57) ITGA1USP2WDR5
SCHEMBL6204438 0.87 ITGA1 (0.57) ITGA1USP2WDR5
SCHEMBL6204444 0.87 ITGA1 (0.57) ITGA1USP2WDR5
SCHEMBL6204122 0.86 ITGA1 (0.50) ACLYITGA1USP2WDR5
SCHEMBL6204118 0.86 ITGA1 (0.50) ACLYITGA1USP2WDR5

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-1100763-B1 DIKETOACID-DERIVATIVES AS INHIBITORS OF POLYMERASES ANGELETTI P IST RICHERCHE BIO (IT) 2005-06-22 EP claimed