SCHEMBL8689341

SCHEMBL8689341

Cc1cn(C2CC(CO)C2CO)c(=O)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.54
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
ALB P02768 1/20 0.51
POLB P06746 1/20 0.51
ADRA1A P35348 1/20 0.51
BLM P54132 1/20 0.51
TYMP P19971 2/20 0.47

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
SCHEMBL9471585 1.00 TK1 (0.54) TK1ALDH1A1LMNAALBPOLB
SCHEMBL10447656 1.00 TK1 (0.54) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8536696 1.00 TK1 (0.54) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8536692 1.00 TK1 (0.54) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8797234 1.00 TK1 (0.54) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9650744 1.00 TK1 (0.54) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9471200 1.00 TK1 (0.54) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9310153 0.89 TK1 (0.60) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9309847 0.88 TK1 (0.50) TK1ALDH1A1LMNAALBPOLB
SCHEMBL10514914 0.86 TK1 (0.57) TK1ALDH1A1LMNAALBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335355-B1 Bis-(hydroxymethyl) cyclobutyl purines and pyrimidines SQUIBB & SONS INC (US) 1997-10-01 EP claimed
EP-0335355-A2 Bis-(hydroxymethyl) cyclobutyl purines and pyrimidines E.R. Squibb & Sons, Inc. (US) 1989-10-04 EP claimed
US-5723609-A VIRICIDES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
EP-0335355-B1 Bis-(hydroxymethyl) cyclobutyl purines and pyrimidines SQUIBB & SONS INC (US) 1997-10-01 EP disclosed
US-5130462-A Intermediates for viricides E. R. SQUIBB & SONS, INC. (US) 1992-07-14 US disclosed
US-5126345-A Viricides E. R. SQUIBB & SONS, INC. (US) 1992-06-30 US disclosed