SCHEMBL7902197

SCHEMBL7902197

O=C(CC[C@@H](NC(=O)Oc1ccc(N(CCCl)CCCl)cc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
CASP1 P29466 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
LIPE Q05469 1/20 0.37
GMNN O75496 1/20 0.37
CYP2D6 P10635 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 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
SCHEMBL7902193 1.00 CCKBR (0.43) CCKBRKMT2AMEN1ALDH1A1HPGD
SCHEMBL8812961 0.85 BCHE (0.40) CCKBRKMT2AMEN1ALDH1A1HPGD
SCHEMBL8511435 0.85 BCHE (0.40) CCKBRKMT2AMEN1ALDH1A1HPGD
SCHEMBL21805219 0.85 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL21805220 0.85 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL8812375 0.85 CCKBR (0.58) CCKBRKMT2AMEN1ALDH1A1HPGD
SCHEMBL8509939 0.85 CCKBR (0.58) CCKBRKMT2AMEN1ALDH1A1HPGD
SCHEMBL8724851 0.81 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL15272012 0.79 CASP1 (0.48) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL5408318 0.79 CASP1 (0.50) KMT2AMEN1ALDH1A1HPGDCASP1

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-6277880-B1 ANTIBODY DIRECTED ENZYME PRODUG THERAPY ZENECA LIMITED (GB) 2001-08-21 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-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