SCHEMBL20039933

SCHEMBL20039933

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
CA7 P43166 2/20 0.45
PREP P48147 1/20 0.43
TRPA1 O75762 2/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CYP2D6 P10635 1/20 0.41
PSENEN Q9NZ42 1/20 0.36
ELANE P08246 1/20 0.36
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL12730505 0.83 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL13635818 0.83 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL13602872 0.83 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL12004707 0.82 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL13413258 0.80 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL7324089 0.79 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL7324091 0.79 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL10192146 0.79 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL3053058 0.77 CTSK (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL23260554 0.75 CTSK (0.57) CTSKCTSSCA2CA1CA7

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-2681187-B1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SCINOPHARM TAIWAN LTD (TW) 2018-04-11 EP disclosed