SCHEMBL9016400

SCHEMBL9016400

CC(C)c1cn(COCCO)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.53
USP2 O75604 1/20 0.41
PNP P00491 1/20 0.41
TSHR P16473 1/20 0.41
EDNRA P25101 1/20 0.41
HTR2A P28223 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.37
TYMP P19971 2/20 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
SCHEMBL13384426 0.85 UPP1 (0.39) UPP1HTTTYMP
SCHEMBL1287949 0.83 HTT (0.36) UPP1BLMHSD17B10HTTTYMP
SCHEMBL4088248 0.80 UPP1 (0.57) UPP1TYMP
SCHEMBL20870268 0.80 GRIA1 (0.38) BLMHSD17B10HTTTYMP
SCHEMBL7535475 0.78 DUT (0.60) UPP1
SCHEMBL1834796 0.77 UPP1 (0.57) UPP1USP2PNPTSHREDNRA
SCHEMBL3786418 0.77 UPP1 (0.57) UPP1USP2PNPTSHREDNRA
SCHEMBL10458521 0.77 UPP1 (0.57) UPP1USP2PNPTSHREDNRA
SCHEMBL10457858 0.77 UPP1 (0.57) UPP1USP2PNPTSHREDNRA
SCHEMBL1287942 0.76 ALDH1A1 (0.52) UPP1

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-0748316-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-12-18 EP claimed