SCHEMBL7258233

SCHEMBL7258233

CCOC(=O)CC[C@H](NC(=O)c1ccc(NCc2ccc3ccc4nc(C)[nH]c(=O)c4c3c2)cc1F)C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 15/20 0.73

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
SCHEMBL6446404 0.97 TYMS (0.77) TYMS
SCHEMBL6446395 0.97 TYMS (0.77) TYMS
SCHEMBL9236881 0.94 TYMS (0.85) TYMS
SCHEMBL7257380 0.92 TYMS (0.66) TYMS
SCHEMBL7258003 0.89 TYMS (0.71) TYMS
SCHEMBL7257755 0.88 TYMS (0.94) TYMS
SCHEMBL7900670 0.87 TYMS (0.79) TYMS
SCHEMBL6654917 0.86 TYMS (0.60) TYMS
SCHEMBL6654911 0.86 TYMS (0.60) TYMS
SCHEMBL7257746 0.84 TYMS (0.64) TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 EP disclosed
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed