SCHEMBL7900456

SCHEMBL7900456

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.48
CCKBR P32239 3/20 0.45
FPR2 P25090 1/20 0.42
NAALAD2 Q9Y3Q0 3/20 0.42
RIMKLA Q8IXN7 1/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL7894806 0.88 FOLH1 (0.49) FOLH1CCKBRFPR2NAALAD2RIMKLA
SCHEMBL7906574 0.88 FOLH1 (0.49) FOLH1CCKBRFPR2NAALAD2RIMKLA
SCHEMBL7902175 0.87 FOLH1 (0.48) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL4460828 0.87 FOLH1 (0.48) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL7902186 0.83 FOLH1 (0.58) FOLH1CCKBRFPR2NAALAD2RIMKLA
SCHEMBL4458797 0.83 FOLH1 (0.58) FOLH1CCKBRFPR2NAALAD2RIMKLA
Hydrochloric Acid SCHEMBL7903946 0.82 FOLH1 (0.57) FOLH1CCKBRFPR2NAALAD2RIMKLA
SCHEMBL8815091 0.81 NAALAD2 (0.46) FOLH1FPR2NAALAD2GAA
SCHEMBL7903773 0.80 PYGL (0.38) FOLH1NAALAD2RIMKLALMNAGAA
SCHEMBL7902106 0.80 PYGL (0.38) FOLH1NAALAD2RIMKLALMNAGAA

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