SCHEMBL11494115

SCHEMBL11494115

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ BACE1 P56817 6/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ REN P00797 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
SCHEMBL11494122 1.00 CTSS (0.53) CTSSCTSKFNTAFNTBBACE1
SCHEMBL12835706 0.90 CTSS (0.56) CTSSCTSKFNTAFNTBBACE1
SCHEMBL29558421 0.90 CTSS (0.56) CTSSCTSKFNTAFNTBBACE1
SCHEMBL29475211 0.88 CTSK (0.54) CTSSCTSKFNTAFNTBBACE1
SCHEMBL10788830 0.87 REN (0.47) CTSSCTSKKMT2AATMCA2
SCHEMBL28501207 0.87 REN (0.47) CTSSCTSKKMT2AATMCA2
SCHEMBL28501209 0.87 REN (0.47) CTSSCTSKKMT2AATMCA2
SCHEMBL7536416 0.87 CTSS (0.49) CTSSCTSKREN
SCHEMBL7536423 0.87 CTSS (0.49) CTSSCTSKREN
SCHEMBL1486176 0.86 PPARA (0.47) CTSSCTSKMEN1KMT2A

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
EP-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 — — EP disclosed
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