SCHEMBL8941897

SCHEMBL8941897

COc1ccc(N2C(=O)O[C@H](COc3ccc(C#N)cc3)[C@@H]2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FADS1 O60427 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL8941935 0.85 ALDH1A1 (0.44) GRM2MEN1KMT2AALDH1A1MAPT
SCHEMBL8942109 0.78 FFAR1 (0.50) MEN1KMT2AALDH1A1MAPT
SCHEMBL8941864 0.78 HSD11B1 (0.43) GRM2MEN1KMT2AL3MBTL1HSD11B1
SCHEMBL8941889 0.77 PIM1 (0.56)
SCHEMBL8942112 0.73 SIRT2 (0.37) GRM2MAPT
SCHEMBL4467710 0.70 GRM2 (0.46) GRM2MEN1KMT2AMAPTKDM4E
SCHEMBL8941860 0.69 MAPT (0.47) MEN1KMT2AALDH1A1MAPTMAOA
SCHEMBL8941854 0.69 MAPT (0.47) MEN1KMT2AALDH1A1MAPTMAOA
1,4-Dimethoxybenzene SCHEMBL28617696 0.67 MAOB (0.61) MEN1KMT2AALDH1A1MAPTMAOA
SCHEMBL30757515 0.67 MAOB (0.61) MEN1KMT2AALDH1A1MAPTMAOA

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