SCHEMBL9344808

SCHEMBL9344808

O=C(O)CN(CCN(CC(=O)O)CC(=O)OCc1ccc([N+](=O)[O-])cc1)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.64
CA2 P00918 11/20 0.64
CA4 P22748 4/20 0.63
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL10904295 0.94 CA1 (0.61) CA1CA2CA4KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL10902215 0.87 CA1 (0.54) CA1CA2CA4KCNH2ALDH1A1
SCHEMBL3093075 0.81 CA1 (0.68) CA1CA2CA4ALDH1A1
SCHEMBL13589983 0.81 CA1 (0.68) CA1CA2CA4ALDH1A1
SCHEMBL10898805 0.81 KCNH2 (0.57) CA1CA2CA4KCNH2ALDH1A1
SCHEMBL8664094 0.80 KCNH2 (0.60) KCNH2ALDH1A1
SCHEMBL9309122 0.80 CA1 (0.71) CA1CA2CA4ALDH1A1
SCHEMBL1554845 0.80 ALDH1A1 (0.55) ALDH1A1RAB9AMAPT
SCHEMBL9162085 0.80 CA1 (0.68) CA1CA2CA4ALDH1A1
SCHEMBL8385774 0.79 RAB9A (0.62) ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415557-B1 Separation of anti-metal chelate antibodies HYBRITECH INC (US) 1994-12-14 EP disclosed
EP-0623675-A1 Altered affinity polypeptides of metal chelate binding antibodies HYBRITECH INCORPORATED (US) 1994-11-09 EP disclosed
EP-0327365-B1 Improvements in or relating to modified haptens useful as imaging and therapeutic agents HYBRITECH INC (US) 1994-06-15 EP disclosed
EP-0596011-A1 TRIFUNCTIONAL COMPOUNDS HAVING SPECIFICITY FOR MULTI-DRUG RESISTANT CELLS HYBRITECH INCORPORATED (US) 1994-05-11 EP disclosed
WO-1993002652-A2 MODIFIED HAPTENS USEFUL AS IMAGING AND THERAPEUTIC AGENTS HYBRITECH INCORPORATED (US) 1993-02-18 WO disclosed
WO-1993002105-A1 TRIFUNCTIONAL COMPOUNDS HAVING SPECIFICITY FOR MULTI-DRUG RESISTANT CELLS HYBRITECH INCORPORATED (US) 1993-02-04 WO disclosed
EP-0217577-B1 ANTIBODY COMPLEXES OF HAPTEN-MODIFIED DIAGNOSTIC OR THERAPEUTIC AGENTS HYBRITECH INCORPORATED (US) 1992-06-10 EP disclosed
US-5112951-A Elution from sulfonated solid support HYBRITECH INCORPORATED (US) 1992-05-12 US disclosed
EP-0415557-A2 Separation of anti-metal chelate antibodies HYBRITECH INCORPORATED (US) 1991-03-06 EP disclosed
EP-0369566-A2 Bifunctional chimeric antibodies HYBRITECH INCORPORATED (US) 1990-05-23 EP disclosed
EP-0369567-A2 Chimeric antibodies directed against metal chelates HYBRITECH INCORPORATED (US) 1990-05-23 EP disclosed
EP-0327365-A2 Improvements in or relating to modified haptens useful as imaging and therapeutic agents HYBRITECH INCORPORATED (US) 1989-08-09 EP disclosed
EP-0217577-A2 Antibody complexes of hapten-modified diagnostic or therapeutic agents HYBRITECH INCORPORATED (US) 1987-04-08 EP disclosed
US-4622420-A Chelating agents and method THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-11-11 US disclosed