SCHEMBL8069827

SCHEMBL8069827

Cc1c(C(C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C)sc2ccc(Cl)cc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PFKFB3 Q16875 5/20 0.34
PFKFB4 Q16877 4/20 0.34
CMA1 P23946 5/20 0.33
SLC2A1 P11166 1/20 0.33
ALOX5 P09917 1/20 0.32
ROCK1 Q13464 5/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8897895 0.86 ALOX5 (0.39) MAPTALOX5
SCHEMBL8071496 0.77 PPARA (0.40) MAPTALOX5
SCHEMBL8897007 0.70 ALOX5 (0.51) ALOX5
SCHEMBL8060767 0.68 ALOX5 (0.53) ALOX5L3MBTL1
SCHEMBL8071333 0.67 ALDH1A1 (0.39) MAPT
SCHEMBL8075184 0.67 EYA3 (0.32) ALOX5
SCHEMBL8060915 0.67 ALDH1A1 (0.34) MAPTNPSR1L3MBTL1
SCHEMBL8303440 0.66 ROCK1 (0.50) MAPTPFKFB3PFKFB4CMA1SLC2A1
SCHEMBL8772001 0.65 TSHR (0.32) NPSR1
SCHEMBL8897373 0.64 GPR84 (0.42) MAPT

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
EP-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed