SCHEMBL8942112

SCHEMBL8942112

COc1ccc(N2C(=O)O[C@H](COc3cccc(CN4CC(=O)SC4=O)c3)[C@@H]2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
GRM2 Q14416 6/20 0.37
PKM P14618 1/20 0.37
TNIK Q9UKE5 2/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
SLC2A1 P11166 1/20 0.34
CMA1 P23946 1/20 0.34

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
SCHEMBL9236212 0.82 GRM2 (0.60) GRM2
SCHEMBL8941897 0.73 GRM2 (0.42) MAPTGRM2
SCHEMBL8941850 0.73 GRM2 (0.55) GRM2
SCHEMBL8941939 0.73 GRM2 (0.57) GRM2
SCHEMBL8941935 0.72 ALDH1A1 (0.44) LMNAMAPTGRM2
SCHEMBL8942117 0.72 GRM2 (0.56) GRM2
SCHEMBL6801533 0.72 GRM2 (0.56) GRM2
SCHEMBL8941893 0.72 CSNK2A2 (0.48) GRM2
SCHEMBL2786197 0.71 GRM2 (0.55) GRM2
SCHEMBL8941889 0.71 PIM1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed