SCHEMBL8334693

SCHEMBL8334693

C[C@@H]1CCCC(=O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.44
CTSL P07711 17/20 0.44
CTSS P25774 16/20 0.44
AKR1C3 P42330 1/20 0.44
ALOX15 P16050 1/20 0.41
CTSV O60911 1/20 0.41
CTSB P07858 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
SCHEMBL4310587 0.81 CTSK (0.47) CTSKCTSLCTSSCTSVCTSB
SCHEMBL8339896 0.81 CTSK (0.47) CTSKCTSLCTSSCTSVCTSB
SCHEMBL8337761 0.81 SMYD3 (0.42) CTSKCTSLCTSSAKR1C3ALOX15
SCHEMBL5983025 0.75 SMYD3 (0.41) CTSKCTSLCTSSAKR1C3ALOX15
SCHEMBL4623836 0.73 SMYD3 (0.41) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4316021 0.73 SMYD3 (0.41) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4309590 0.73 SMYD3 (0.41) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6559920 0.73 PKM (0.44) CTSKCTSLCTSSCTSB
SCHEMBL4315123 0.71 CTSK (0.58) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4622098 0.71 ELOVL6 (0.39) CTSKCTSLCTSSAKR1C3CTSV

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
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed