SCHEMBL7334231

SCHEMBL7334231

CC(C)(C)OC(=O)NCCCCC1C(=O)[N]CCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PREP P48147 4/20 0.44
SIGMAR1 Q99720 3/20 0.44
ABCB1 P08183 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SYK P43405 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7295402 0.83 MAPT (0.42) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL8355283 0.83 PREP (0.43) KEAP1NFE2L2PREPITGB3ITGA2B
SCHEMBL7311516 0.81 ITGB3 (0.46) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7335218 0.81 MAPT (0.45) MAPTITGB3ITGA2BKLK7KLK5
SCHEMBL7286805 0.80 PREP (0.43) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7296887 0.80 PREP (0.43) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7341224 0.80 PREP (0.42) PREPITGB3HTT
SCHEMBL7286648 0.78 ITGB3 (0.43) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7284719 0.78 ITGB3 (0.43) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7285021 0.77 SIGMAR1 (0.44) PREPSIGMAR1ITGB3ITGA2BHTT

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
US-5888531-A ACTIVE MATERIAL STABILIZED WITH DISACCHARIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed