SCHEMBL14264232

SCHEMBL14264232

CC(C)(C)OC(=O)CNC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.58
▸ CTSK P43235 10/20 0.58
▸ ABCB1 P08183 1/20 0.58
▸ CTSB P07858 4/20 0.58
▸ CTSL P07711 2/20 0.58
▸ AKT1 P31749 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ BCL2 P10415 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ PLG P00747 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46

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
SCHEMBL5096778 1.00 CTSS (0.58) CTSSCTSKABCB1CTSBCTSL
SCHEMBL28969878 0.87 CTSS (0.57) CTSSCTSKABCB1CTSBCTSL
SCHEMBL1311509 0.84 ITGB3 (0.67) CTSSCTSKABCB1CTSBCTSL
SCHEMBL1062486 0.84 ITGB3 (0.67) CTSSCTSKABCB1CTSBCTSL
SCHEMBL5065823 0.84 ITGB3 (0.67) CTSSCTSKABCB1CTSBCTSL
SCHEMBL13252087 0.84 ABCB1 (0.58) CTSSCTSKABCB1CTSBCTSL
SCHEMBL30336908 0.83 ABCB1 (0.56) CTSSCTSKABCB1CTSBCTSL
SCHEMBL25607238 0.83 ABCB1 (0.46) CTSSCTSKABCB1CTSBCTSL
SCHEMBL13933239 0.83 ABCB1 (0.57) CTSSCTSKABCB1CTSBCTSL
SCHEMBL13252035 0.83 ABCB1 (0.57) CTSSCTSKABCB1CTSBCTSL

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-20080070308-A1 Portous Article For Delivering Chemical Substances LIFECYCLE PHARMA A/S (DK) 2008-03-20 — — US disclosed
US-20080070308-A1 Portous Article For Delivering Chemical Substances LIFECYCLE PHARMA A/S (DK) 2008-03-20 — — US disclosed
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