SCHEMBL7900272

SCHEMBL7900272

CC(C)(C)OC(=O)CC[C@H](NC(=O)Cc1ccc(N(CCO)CCO)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 4/20 0.39
MEN1 O00255 1/20 0.36
AOC3 Q16853 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7906473 0.91 KMT2A (0.52) KMT2AL3MBTL1NPSR1CNR2MEN1
SCHEMBL7902134 0.85 PPARG (0.34) KMT2AMEN1LTA4HALDH1A1LMNA
SCHEMBL7902718 0.82 CNR2 (0.40) KMT2AL3MBTL1CNR2HDAC8LTA4H
SCHEMBL8721920 0.80 DHFR (0.34) L3MBTL1ALDH1A1USP2LMNA
SCHEMBL7902794 0.79 KMT2A (0.47) KMT2AMEN1ALDH1A1LMNA
SCHEMBL8722966 0.78 ADAMTS5 (0.37) CCNE2CCNE1CDK2
SCHEMBL7894784 0.76 PPARG (0.34) LTA4HALDH1A1LMNA
SCHEMBL7903878 0.76 PPARG (0.34) LTA4HALDH1A1LMNA
SCHEMBL9751830 0.76 EGFR (0.45) LMNA
SCHEMBL8725881 0.74 TYMS (0.45) ALDH1A1

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