SCHEMBL11165901

SCHEMBL11165901

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ BACE1 P56817 6/20 0.43
▸ CA2 P00918 2/20 0.42
▸ PSENEN Q9NZ42 2/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 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
SCHEMBL12835706 0.90 CTSS (0.56) CTSSCTSKBACE1CA2CA1
SCHEMBL29558421 0.90 CTSS (0.56) CTSSCTSKBACE1CA2CA1
SCHEMBL11163088 0.89 CTSK (0.49) CTSSCTSKBACE1CA2PSENEN
SCHEMBL10308404 0.88 CTSS (0.54) CTSSCTSKBACE1CA2PSENEN
SCHEMBL17446797 0.87 CTSS (0.53) CTSSCTSKBACE1CA2PSENEN
SCHEMBL9224622 0.87 KMT2A (0.43) CTSSCTSKCA2CA1CA7
SCHEMBL18953129 0.87 KMT2A (0.43) CTSSCTSKCA2CA1CA7
SCHEMBL18953127 0.87 KMT2A (0.43) CTSSCTSKCA2CA1CA7
SCHEMBL10606976 0.86 CTSK (0.47) CTSSCTSKCA2CA1CA7
SCHEMBL7509222 0.86 CTSK (0.47) CTSSCTSKCA2CA1CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369178-A Glucosamine peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-18 — — US disclosed
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 — — EP disclosed
EP-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 — — EP disclosed
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