SCHEMBL9851762

SCHEMBL9851762

CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1n1ncc2c(=O)[nH]cnc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.42
TK2 O00142 5/20 0.39
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
MAPK1 P28482 1/20 0.34
STING1 Q86WV6 1/20 0.33

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
SCHEMBL9851764 1.00 PRKCA (0.42) PRKCATK2ALDH1A1LMNAALB
SCHEMBL9851698 1.00 PRKCA (0.42) PRKCATK2ALDH1A1LMNAALB
SCHEMBL9851865 0.93 PRKCA (0.37) PRKCATK2
SCHEMBL9851795 0.93 PRKCA (0.37) PRKCATK2
SCHEMBL9851726 0.83 TK2 (0.47) PRKCATK2
SCHEMBL9851871 0.83 TK2 (0.47) PRKCATK2
SCHEMBL9851779 0.82 LPAR1 (0.36) TK2ALDH1A1STING1
SCHEMBL9851863 0.82 LPAR1 (0.36) TK2ALDH1A1STING1
SCHEMBL9851694 0.82 TK2 (0.49) PRKCATK2ALDH1A1LMNA
SCHEMBL9851697 0.82 TK2 (0.49) PRKCATK2ALDH1A1LMNA

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-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed