SCHEMBL4458797

SCHEMBL4458797

O=C(O)CC[C@H](NC(=O)Nc1ccc(N(CCCl)CCCl)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.58
LMNA P02545 2/20 0.51
CCKBR P32239 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GAA P10253 1/20 0.49
NAALAD2 Q9Y3Q0 3/20 0.49
RIMKLA Q8IXN7 1/20 0.49
FPR2 P25090 1/20 0.48
GMNN O75496 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
GABRA1 P14867 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL7902186 1.00 FOLH1 (0.58) FOLH1LMNACCKBRHDAC1HDAC2
Hydrochloric Acid SCHEMBL7903946 0.99 FOLH1 (0.57) FOLH1LMNACCKBRHDAC1HDAC2
SCHEMBL8726206 0.90 KMT2A (0.51) FOLH1LMNACCKBRHDAC1HDAC2
SCHEMBL4464533 0.85 FOLH1 (0.49) FOLH1LMNACCKBRNAALAD2GMNN
SCHEMBL14497677 0.85 FOLH1 (0.49) FOLH1LMNACCKBRNAALAD2GMNN
SCHEMBL7902095 0.84 FOLH1 (0.46) FOLH1LMNANAALAD2RIMKLAKMT2A
SCHEMBL7894806 0.84 FOLH1 (0.49) FOLH1LMNACCKBRGAANAALAD2
SCHEMBL7906574 0.84 FOLH1 (0.49) FOLH1LMNACCKBRGAANAALAD2
SCHEMBL7902098 0.84 FOLH1 (0.46) FOLH1LMNANAALAD2RIMKLAKMT2A
SCHEMBL9014687 0.84 CA2 (0.56) FOLH1LMNAGMNNALDH1A1CYP2D6

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-5714148-A PRODRUGS WHICH ARE SUBSTRATES FOR CARBOXYPEPTIDASE G2 AND YIELD ACTIVE CYTOTOXIC DRUGS ZENECA LIMITED (GB) 1998-02-03 US claimed
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 claimed
US-5405990-A For use in antibody directed enzyme prodrug therapy; cytotoxic parent nitrogen mustard; antitumor agents ZENECA LIMITED (GB) 1995-04-11 US claimed
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 claimed
US-20200216818-A1 VACCINIA VIRUS FOR GENE-DIRECTED ENZYME PRODRUG THERAPY THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2020-07-09 US disclosed
EP-3010518-B1 VACCINIA VIRUS FOR GENE-DIRECTED ENZYME PRODRUG THERAPY THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2020-06-10 EP disclosed
US-20160130564-A1 VACCINIA VIRUS FOR GENE-DIRECTED ENZYME PRODRUG THERAPY THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2016-05-12 US disclosed
EP-3010518-A1 VACCINIA VIRUS FOR GENE-DIRECTED ENZYME PRODRUG THERAPY The Institute of Cancer Research: Royal Cancer Hospital (GB) 2016-04-27 EP disclosed
WO-2014202977-A1 VACCINIA VIRUS FOR GENE-DIRECTED ENZYME PRODRUG THERAPY THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2014-12-24 WO disclosed
EP-0919622-B1 Surface expression of enzyme in gene directed prodrug therapy CANCER RES CAMPAIGN TECH (GB) 2009-02-18 EP disclosed
US-20040014187-A1 Bacterial carboxypeptidase cpg2 variants and their use in gene directed enzyme prodrug therapy CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-01-22 US disclosed
EP-0774005-A1 SURFACE EXPRESSION OF ENZYME IN GENE DIRECTED PRODRUG THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-05-21 EP disclosed
EP-0772455-A2 INTRACELLULAR EXPRESSION OF CARBOXYPEPTIDASE G2 IN ENZYME PRODRUG THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-05-14 EP 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
WO-1996003515-A2 SURFACE EXPRESSION OF ENZYME IN GENE DIRECTED PRODRUG THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-02-08 WO disclosed
WO-1996003151-A2 INTRACELLULAR EXPRESSION OF CARBOXYPEPTIDASE G2 IN ENZYME PRODRUG THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-02-08 WO 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