SCHEMBL7529481

SCHEMBL7529481

Cc1cn(CC(=O)N(CC(=O)O)C(C)O)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TYMP P19971 3/20 0.43
MAPK1 P28482 1/20 0.41
TK1 P04183 5/20 0.41

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
SCHEMBL6065649 0.89 HPGD (0.42) HPGDTYMPMAPK1TK1
SCHEMBL6837655 0.85 TYMP (0.43) HPGDTYMPMAPK1TK1
SCHEMBL8645218 0.85 TK1 (0.42) HPGDTYMPMAPK1TK1
SCHEMBL6837969 0.78 TYMP (0.41) HPGDTYMPMAPK1TK1
SCHEMBL456749 0.78 HPGD (0.57) HPGDTYMPMAPK1TK1
SCHEMBL7529489 0.78 HPGD (0.43) HPGDTYMPMAPK1TK1
SCHEMBL28985698 0.76 MAPK1 (0.49) HPGDTYMPMAPK1TK1
SCHEMBL27207409 0.75 TYMP (0.41) HPGDTYMPMAPK1TK1
SCHEMBL27203667 0.75 TYMP (0.41) HPGDTYMPMAPK1TK1
SCHEMBL157965 0.75 TK2 (0.46) TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0761681-B1 Process for the preparation of substituted derivatives of N-ethylglycine HOECHST AG (DE) 2002-03-13 EP disclosed
US-5817811-A AMIDATION OF THE CORRESPOND ESTERIFIED AMINE COMPOUND WITH A CARBOXYLATED NUCLEOTIDE BASE HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0761681-A2 Process for the preparation of substituted derivatives of N-ethylglycine HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-12 EP disclosed