SCHEMBL29874941

SCHEMBL29874941

CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCCl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.54
CTSS P25774 3/20 0.54
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CTSL P07711 3/20 0.46
TRPA1 O75762 2/20 0.46
CTSB P07858 2/20 0.46
CYP2D6 P10635 1/20 0.45
PREP P48147 1/20 0.44
PSENEN Q9NZ42 1/20 0.42
KLK5 Q9Y337 1/20 0.42

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
SCHEMBL17011363 1.00 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL3180779 1.00 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL3180769 1.00 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL3731957 0.87 CTSK (0.46) CTSKCTSSCA2CA1CA7
SCHEMBL15488335 0.86 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL3189254 0.86 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL15488043 0.86 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL21767271 0.86 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL3733675 0.85 CTSK (0.44) CTSKCTSSCA2CA1CA7
SCHEMBL28469457 0.85 CTSK (0.55) 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
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 CN disclosed