SCHEMBL9750004

SCHEMBL9750004

O=C(O)CN(CCN(CC(=O)O)[C@@H](Cc1ccc(NC(=O)CBr)cc1)C(=O)O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 19/20 0.45
▸ CA2 P00918 19/20 0.45
▸ CA12 O43570 5/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ CA4 P22748 5/20 0.44

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
SCHEMBL9342191 1.00 CA1 (0.45) CA1CA2CA12CA9CA4
SCHEMBL21723688 0.86 CA1 (0.45) CA1CA2CA12CA9CA4
SCHEMBL5257610 0.84 TGM2 (0.42) CA1CA2CA12CA9CA4
SCHEMBL7598191 0.81 SLC7A5 (0.44) CA1CA2CA12CA9CA4
SCHEMBL7596061 0.81 CYP1A2 (0.43) CA1CA2
SCHEMBL29588115 0.81 CYP1A2 (0.43) CA1CA2
SCHEMBL9435308 0.80 TDP1 (0.39) CA1CA2CA12CA9CA4
SCHEMBL5252487 0.80 TDP1 (0.39) CA1CA2CA12CA9CA4
SCHEMBL2538468 0.79 KMT2A (0.43) CA1CA2CA12CA9CA4
SCHEMBL7170464 0.79 KMT2A (0.43) CA1CA2CA12CA9CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217577-B1 ANTIBODY COMPLEXES OF HAPTEN-MODIFIED DIAGNOSTIC OR THERAPEUTIC AGENTS HYBRITECH INCORPORATED (US) 1992-06-10 — — EP disclosed
EP-0217577-A2 Antibody complexes of hapten-modified diagnostic or therapeutic agents HYBRITECH INCORPORATED (US) 1987-04-08 — — EP disclosed
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