SCHEMBL11099684

SCHEMBL11099684

Cc1ccc([C@@H]2OC(=O)N[C@H]2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TNKS2 Q9H2K2 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 6/20 0.38
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL9671149 1.00 MAPT (0.42) MAPTATMNPSR1TNKS2LMNA
SCHEMBL11099686 1.00 MAPT (0.42) MAPTATMNPSR1TNKS2LMNA
SCHEMBL4291 0.85 GRM5 (0.49) GRM5
SCHEMBL338191 0.85 GRM5 (0.49) GRM5
SCHEMBL5544656 0.85 GRM5 (0.49) GRM5
SCHEMBL8532996 0.85 GRM5 (0.49) GRM5
SCHEMBL8192290 0.85 GRM5 (0.49) GRM5
SCHEMBL5835621 0.85 GRM5 (0.49) GRM5
SCHEMBL6374631 0.85 GRM5 (0.49) GRM5
SCHEMBL4687 0.85 GRM5 (0.49) GRM5

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-4442116-A MITICIDES NIPPON SODA COMPANY, LIMITED (JP) 1984-04-10 US disclosed
US-4431814-A HERBICIDES, MITICIDES, ANTICONVULSANTS NIPPON SODA COMPANY LIMITED (JP) 1984-02-14 US disclosed