SCHEMBL7903786

SCHEMBL7903786

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL7902616 0.91
SCHEMBL7894832 0.84 S100B (0.35)
SCHEMBL7903865 0.80 MAPT (0.40) ALDH1A1
SCHEMBL7902174 0.78 CYP3A4 (0.37) ALDH1A1
SCHEMBL7903874 0.72 MAPT (0.40) ALDH1A1
SCHEMBL7900272 0.66 KMT2A (0.41) ALDH1A1
SCHEMBL8725881 0.65 TYMS (0.45) ALDH1A1
SCHEMBL7902134 0.64 PPARG (0.34) ALDH1A1
SCHEMBL5571448 0.63 LTA4H (0.31)
SCHEMBL735140 0.62 KMT2A (0.41) 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