SCHEMBL6249309

SCHEMBL6249309

O=C(CI)Nc1ccc(C(=O)O)c(N2C(=O)CCC2=O)c1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL10621031 0.79 CA12 (0.31) CA12CA1CA9
SCHEMBL4432972 0.76 ALDH1A1 (0.40) KDM4ECA12CA1CA9ALDH1A1
SCHEMBL1232653 0.67 MAPK1 (0.38) KDM4ETP53CA12CA1CA9
SCHEMBL6578197 0.65 CA12 (0.36) CA12CA1CA9ALDH1A1
SCHEMBL574774 0.64 CA12 (0.37) KDM4ECA12CA1CA9ALDH1A1
SCHEMBL5137956 0.64 ALDH1A1 (0.36) TP53ALDH1A1
SCHEMBL896338 0.64 CA12 (0.36) CA12CA1CA9ALDH1A1
SCHEMBL5929414 0.64 ALDH1A1 (0.46) CA12CA1CA9ALDH1A1
SCHEMBL1834310 0.63 CA12 (0.41) KDM4ETP53CA12CA1CA9
SCHEMBL2179706 0.63 ALDH1A1 (0.35) ALDH1A1

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-1328811-B1 HCV MOSAIC ANTIGEN COMPOSITION MEDMIRA INC (CA) 2005-08-31 EP claimed