SCHEMBL5492165

SCHEMBL5492165

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.52
▸ PSMB9 P28065 1/20 0.52
▸ PSMB5 P28074 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PAX8 Q06710 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KLK7 P49862 2/20 0.47
▸ KLK5 Q9Y337 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSK P43235 1/20 0.47
▸ OPRD1 P41143 4/20 0.45
▸ CCKBR P32239 3/20 0.45
▸ CCKAR P32238 3/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RECQL P46063 1/20 0.45

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
SCHEMBL7023555 0.97 MAPT (0.51) PSMB8PSMB9PSMB5MAPTPOLB
SCHEMBL22343065 0.88 MAPT (0.53) PSMB8PSMB9PSMB5MAPTPOLB
SCHEMBL28897027 0.87 MAPT (0.54) MAPTPOLBMAPK1PAX8TDP1
SCHEMBL30266615 0.87 MAPT (0.54) MAPTPOLBMAPK1PAX8TDP1
SCHEMBL28436040 0.87 MAPT (0.54) MAPTPOLBMAPK1PAX8TDP1
SCHEMBL30266675 0.87 MAPT (0.54) MAPTPOLBMAPK1PAX8TDP1
SCHEMBL28431835 0.87 MAPT (0.55) MAPTPOLBMAPK1PAX8TDP1
SCHEMBL28431032 0.87 MAPT (0.55) MAPTPOLBMAPK1PAX8TDP1
SCHEMBL1755615 0.86 TDP1 (0.61) MAPTPOLBPAX8TDP1KLK7
SCHEMBL17254256 0.85 TDP1 (0.56) MAPTPAX8TDP1KLK7KLK5

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-7163921-B1 Peptide derivatives and medicinal compositions NIPPON SHINYAKU CO., LTD. (JP) 2007-01-16 — — US disclosed
EP-1275657-A1 PEPTIDE DERIVATIVES AND MEDICINAL COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2003-01-15 — — EP disclosed
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