SCHEMBL9549703

SCHEMBL9549703

Cc1cn([C@H]2CC[C@@H](C)O2)c(=O)[nH]c1=O.O=P(O)(S)S

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
POLB P06746 1/20 0.47
ADRA1A P35348 1/20 0.47
BLM P54132 1/20 0.47
TYMP P19971 2/20 0.47
DHFR P00374 1/20 0.46

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
Phosphoric Acid SCHEMBL3095605 0.95 TK1 (0.52) TK1TYMPDHFR
SCHEMBL9549708 0.94 TK1 (0.48) TK1ALDH1A1LMNAALBPOLB
SCHEMBL78118 0.91 TK1 (0.53) TK1ALDH1A1LMNAALBPOLB
SCHEMBL19242604 0.91 TK1 (0.53) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9549653 0.90 TK1 (0.50) TK1ALDH1A1LMNAALBPOLB
Pyrophosphoric Acid SCHEMBL1269545 0.90 POLB (0.54) TK1POLBDHFR
SCHEMBL9549656 0.90 TK1 (0.50) TK1ALDH1A1LMNAALBPOLB
Triphosphate SCHEMBL81707 0.88 POLB (0.55) TK1POLBDHFR
SCHEMBL3154831 0.87 POLB (0.57) TK1POLBDHFR
SCHEMBL16217853 0.80 TK1 (0.56) TK1ALBPOLB

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
US-5218088-A Process for preparing dithiophosphate oligonucleotide analogs via nucleoside thiophosphoramidite intermediates PURDUE RESEARCH FOUNDATION (US) 1993-06-08 US disclosed