SCHEMBL30985302

SCHEMBL30985302

Cc1cn([C@@]2(N)C[C@H](O)[C@@H](CCO)O2)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.39
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
POLB P06746 1/20 0.36
ADRA1A P35348 1/20 0.36
BLM P54132 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
SCHEMBL6832192 0.91 TK1 (0.45) TK1ALDH1A1LMNAALBPOLB
SCHEMBL660497 0.91 TK1 (0.45) TK1ALDH1A1LMNAALBPOLB
Propene SCHEMBL28801066 0.86 TK1 (0.42) TK1LMNAALBBLM
SCHEMBL31498877 0.80 TK1 (0.39) TK1LMNAALBBLM
SCHEMBL3505951 0.79 TK1 (0.37) TK1
SCHEMBL1517629 0.78 TK1 (0.44) TK1ALDH1A1LMNAALBPOLB
SCHEMBL4779041 0.78 TK1 (0.37) TK1ALDH1A1NPSR1
SCHEMBL3715513 0.77 POLB (0.51) TK1POLB
SCHEMBL29364921 0.76 TK1 (0.45) TK1ALDH1A1LMNAALBPOLB
SCHEMBL547924 0.76 TK1 (0.43) TK1LMNAALBBLM

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
CN-118401663-A DNA compositions and related methods 旗舰创业创新七公司 2024-07-26 CN disclosed