SCHEMBL3193703

SCHEMBL3193703

COC(=O)C(N)CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.45
▸ CTSK P43235 5/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ PPARA Q07869 8/20 0.42
▸ PPARG P37231 7/20 0.42
▸ ACE P12821 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ CAPN1 P07384 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
Mecysteine SCHEMBL29016387 0.85 CTSL (0.50) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL13293190 0.83 CTSK (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL28428994 0.83 PPARA (0.47) CTSSCTSKCTSLCTSBPPARA
SCHEMBL22118348 0.83 CTSK (0.51) CTSSCTSKCTSLCTSBPPARA
SCHEMBL18987919 0.83 CTSK (0.51) CTSSCTSKCTSLCTSBPPARA
SCHEMBL24099502 0.83 CTSS (0.48) CTSSCTSKCTSLCTSBPPARA
SCHEMBL13832930 0.82 PPARA (0.45) CTSSCTSKCTSLCTSBPPARA
SCHEMBL29019455 0.81 CTSS (0.47) CTSSCTSKCTSLCTSBPPARA
Hydrochloric Acid SCHEMBL1094814 0.80 CTSS (0.46) CTSSCTSKCTSLCTSBPPARA
Hydrazine SCHEMBL8410651 0.80 CTSL (0.62) CTSSCTSKCTSLCTSBCAPN1

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-7662960-B2 Beta-strand mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-02-16 — — US disclosed
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