SCHEMBL28000286

SCHEMBL28000286

CCCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.52
▸ CTSS P25774 5/20 0.52
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL21419058 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL24067299 0.91 CTSK (0.55) CTSKCTSSMEN1GAAKMT2A
SCHEMBL12658511 0.89 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1951088 0.87 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL627379 0.87 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL905289 0.87 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL3205842 0.87 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL629960 0.87 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL3825684 0.87 CTSS (0.67) CTSKCTSSCA1CA2CA7
SCHEMBL16710011 0.87 CTSS (0.67) CTSKCTSSCA1CA2CA7

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
CN-104507899-A Phenol derivative, preparation method and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-04-08 — — CN disclosed
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