SCHEMBL8511435

SCHEMBL8511435

Cc1cc(OC(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)ccc1N(CCCl)CCCl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CCKBR P32239 5/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.36
CASP1 P29466 2/20 0.36
POLB P06746 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
SCHEMBL8812961 1.00 BCHE (0.40) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7902197 0.85 CCKBR (0.43) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7902193 0.85 CCKBR (0.43) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7902106 0.80 PYGL (0.38) ALDH1A1HPGDKMT2A
SCHEMBL21805219 0.79 ALDH1A1 (0.48) MEN1ALDH1A1HPGDKMT2ATACR1
SCHEMBL21805220 0.79 ALDH1A1 (0.48) MEN1ALDH1A1HPGDKMT2ATACR1
SCHEMBL8727972 0.78 ALDH1A1 (0.43) BCHEACHEALDH1A1POLB
SCHEMBL8508563 0.76 CCKBR (0.53) CCKBRMEN1ALDH1A1HPGDKMT2A
SCHEMBL8815308 0.76 CCKBR (0.53) CCKBRMEN1ALDH1A1HPGDKMT2A
SCHEMBL8815104 0.75 CCKBR (0.51) CCKBRMEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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