SCHEMBL7902106

SCHEMBL7902106

Cc1cc(OC(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc1N(CCCl)CCCl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.38
FOLH1 Q04609 8/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NAALAD2 Q9Y3Q0 3/20 0.36
TMPRSS15 P98073 1/20 0.35
RIMKLA Q8IXN7 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7903773 1.00 PYGL (0.38) PYGLFOLH1LMNAKMT2AKDM4E
SCHEMBL4469539 0.82 LMNA (0.49) FOLH1LMNAKMT2AKDM4EALDH1A1
SCHEMBL7902705 0.82 LMNA (0.49) FOLH1LMNAKMT2AKDM4EALDH1A1
SCHEMBL8812961 0.80 BCHE (0.40) KMT2AALDH1A1HPGD
SCHEMBL8511435 0.80 BCHE (0.40) KMT2AALDH1A1HPGD
SCHEMBL7900456 0.80 FOLH1 (0.48) FOLH1LMNANAALAD2RIMKLAGAA
SCHEMBL8722086 0.80 CA2 (0.42) PYGLFOLH1CA12CA1CA2
SCHEMBL8722067 0.78 CA1 (0.47) LMNAALDH1A1CA12CA1CA2
SCHEMBL8726467 0.78 CA2 (0.41) PYGLFOLH1CA12CA1CA2
SCHEMBL8722082 0.78 CA1 (0.42) PYGLFOLH1ALDH1A1HPGDCA12

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 9 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
EP-0651740-B1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LTD (GB) 1998-10-21 EP 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