SCHEMBL7512416

SCHEMBL7512416

Nc1ccc(CNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 20/20 0.71
CA2 P00918 20/20 0.71
CA4 P22748 10/20 0.71
CA12 O43570 5/20 0.71
CA9 Q16790 5/20 0.71

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
SCHEMBL9440908 0.94 CA1 (0.62) CA1CA2CA4CA12CA9
SCHEMBL9856623 0.86 CA1 (0.68) CA1CA2CA4CA12CA9
SCHEMBL9705794 0.84 CA1 (0.68) CA1CA2CA4CA12CA9
SCHEMBL25296370 0.83 CA1 (0.64) CA1CA2CA4CA12CA9
Pentetic Acid SCHEMBL9440802 0.82 TDP1 (0.65) CA1CA2CA4CA12CA9
SCHEMBL9168719 0.82 CA1 (0.63) CA1CA2CA4CA12CA9
SCHEMBL27083384 0.81 CA1 (0.63) CA1CA2CA4CA12CA9
SCHEMBL18461307 0.80 CA1 (0.61) CA1CA2CA4CA12CA9
SCHEMBL7504982 0.80 CA2 (0.49) CA1CA2CA4CA12CA9
SCHEMBL21364390 0.80 CA1 (0.61) CA1CA2CA4CA12CA9

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-1170021-A2 Conjugates of peptides and lanthanid-chelates for fluorescencediagnostic Shering Aktiengesellschaft (DE) 2002-01-09 EP disclosed