SCHEMBL7902128

SCHEMBL7902128

O=C(O)CC[C@H](NC(=O)Oc1ccc(N(CCBr)CCBr)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
FOLH1 Q04609 8/20 0.40
NAALAD2 Q9Y3Q0 5/20 0.40
RIMKLA Q8IXN7 1/20 0.40
TMPRSS15 P98073 1/20 0.39
DHFR P00374 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
GGH Q92820 1/20 0.37

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
SCHEMBL4653834 0.89 GAA (0.42) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652873 0.89 GAA (0.42) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4161725 0.88 GAA (0.41) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL7902705 0.88 LMNA (0.49) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4469539 0.88 LMNA (0.49) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652770 0.88 GAA (0.41) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652866 0.86 GAA (0.40) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652743 0.86 GAA (0.40) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652731 0.82 CA2 (0.40) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652733 0.82 CA2 (0.40) GAAFOLH1NAALAD2RIMKLATMPRSS15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277880-B1 ANTIBODY DIRECTED ENZYME PRODUG THERAPY ZENECA LIMITED (GB) 2001-08-21 US disclosed
US-5958971-A PRODRUGS OF NITROGEN MUSTARD, AN ANTICARCINOGENIC AND TUMOR AGENT; ANTIBODY DIRECTED ENZYME PRODRUG THERAPY (ADEPT); BIOCHEMICAL CONJUGATION ZENECA LIMITED (GB) 1999-09-28 US disclosed
US-5714148-A PRODRUGS WHICH ARE SUBSTRATES FOR CARBOXYPEPTIDASE G2 AND YIELD ACTIVE CYTOTOXIC DRUGS ZENECA LIMITED (GB) 1998-02-03 US disclosed
US-5660829-A DEESTERIFYING COMPOUND TO FORM N-(4(N,N-BIS(2-CHLOROETHYL) AMINO)PHENOXYCARBONYL)-L-GLUTAMIC ACID-GAMMA-(3,5-DICARBOXY)ANILIDE ZENECA LIMITED (GB) 1997-08-26 US disclosed
US-5587161-A TWO COMPONENT SYSTEM INCLUDING ANTIBODY OR ANTIGEN BINDING FRAGMENT CONJUGATED TO CARBOXYPEPTIDASE G ENZYME, COMPOUND CONVERTIBLE TO CYTOTOXIC DRUG UNDER INFLUENCE OF ENZYME ZENECA LIMITED (GB) 1996-12-24 US disclosed
EP-0651740-A1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LIMITED (GB) 1995-05-10 EP disclosed
US-5405990-A For use in antibody directed enzyme prodrug therapy; cytotoxic parent nitrogen mustard; antitumor agents ZENECA LIMITED (GB) 1995-04-11 US disclosed
WO-1994002450-A1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LIMITED (GB) 1994-02-03 WO disclosed