SCHEMBL7900670

SCHEMBL7900670

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

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 16/20 0.79

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
SCHEMBL7258003 0.92 TYMS (0.71) TYMS
SCHEMBL7257755 0.91 TYMS (0.94) TYMS
SCHEMBL9236881 0.90 TYMS (0.85) TYMS
SCHEMBL8214839 0.89 TYMS (0.70) TYMS
SCHEMBL7262789 0.89 TYMS (0.70) TYMS
SCHEMBL6447463 0.88 TYMS (1.00) TYMS
SCHEMBL7258233 0.87 TYMS (0.73) TYMS
SCHEMBL8736380 0.86 TYMS (0.89) TYMS
SCHEMBL7261699 0.85 TYMS (0.80) TYMS
SCHEMBL7257746 0.85 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
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
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 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