SCHEMBL8770105

SCHEMBL8770105

CCOC(=O)N[C@@H](Cc1ccccc1)C(C#N)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.45
CTSK P43235 6/20 0.45
CTSS P25774 5/20 0.45
CTSB P07858 3/20 0.45
CTSC P53634 4/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TACR1 P25103 1/20 0.43
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ANPEP P15144 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
SCHEMBL10338258 0.87 CTSC (0.45) CTSLCTSKCTSSCTSBCTSC
SCHEMBL10338259 0.87 CTSC (0.45) CTSLCTSKCTSSCTSBCTSC
SCHEMBL22885981 0.85 CTSS (0.57) CTSLCTSKCTSSCTSB
SCHEMBL5651683 0.78 TRPM8 (0.50) CTSLCTSBTRPM8MMP8ALDH1A1
SCHEMBL5650046 0.78 TRPM8 (0.50) CTSLCTSBTRPM8MMP8ALDH1A1
SCHEMBL6091546 0.78 TRPM8 (0.50) CTSLCTSBTRPM8MMP8ALDH1A1
SCHEMBL5652568 0.77 TRPM8 (0.55) CTSLTRPM8L3MBTL1MMP8ALDH1A1
SCHEMBL5653520 0.77 TRPM8 (0.55) CTSLTRPM8L3MBTL1MMP8ALDH1A1
SCHEMBL6075360 0.77 TRPM8 (0.55) CTSLTRPM8L3MBTL1MMP8ALDH1A1
SCHEMBL17275392 0.76 CTSS (0.54) CTSLCTSKCTSSCTSBTACR1

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
EP-0793673-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN L INHIBITOR Takeda Chemical Industries, Ltd. (JP) 1997-09-10 EP disclosed
WO-1996016079-A2 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN L INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1996-05-30 WO disclosed