SCHEMBL8895915

SCHEMBL8895915

Cc1cn(C2(OCP(=O)(O)O)CCC(C)O2)c(=O)[nH]c1=O.[Na]

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.44
TK1 P04183 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NT5M Q9NPB1 1/20 0.36

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
SCHEMBL8713888 0.81 TYMP (0.44) TYMPTK1ALDH1A1NPSR1NT5M
SCHEMBL31307084 0.79 ALDH1A1 (0.41) TK1ALDH1A1NPSR1NT5M
SCHEMBL8713727 0.78 TYMP (0.46) TYMPTK1ALDH1A1NPSR1NT5M
SCHEMBL8711795 0.77 TYMP (0.45) TYMPTK1ALDH1A1NPSR1NT5M
SCHEMBL10421457 0.77 TYMP (0.44) TYMPTK1ALDH1A1NPSR1NT5M
SCHEMBL8897185 0.77 ALDH1A1 (0.36) TYMPTK1ALDH1A1NPSR1NT5M
SCHEMBL8896329 0.73 TYMP (0.45) TYMPTK1ALDH1A1NPSR1NT5M
SCHEMBL10421387 0.72 TYMP (0.44) TYMPTK1ALDH1A1NPSR1NT5M
SCHEMBL8412869 0.72 ALDH1A1 (0.40) TK1ALDH1A1NPSR1
SCHEMBL8718046 0.70 TYMP (0.40) TYMPTK1ALDH1A1NPSR1NT5M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398231-B1 Nucleoside analogs ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1997-07-16 EP disclosed