SCHEMBL7344740

SCHEMBL7344740

CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(C)(C)C(O)c1c(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.47
CTSK P43235 8/20 0.47
CTSL P07711 7/20 0.47
CTSB P07858 4/20 0.44
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP13 P45452 1/20 0.43
LARS1 Q9P2J5 2/20 0.41
ADAM17 P78536 1/20 0.40
PSMB8 P28062 1/20 0.40
ADAMTS4 O75173 1/20 0.39

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
SCHEMBL7333112 0.80 CTSS (0.48) CTSSCTSKCTSLCTSBMMP2
SCHEMBL7333126 0.80 CTSS (0.48) CTSSCTSKCTSLCTSBMMP2
SCHEMBL5350533 0.80 CTSS (0.52) CTSSCTSKCTSLCTSBMMP2
SCHEMBL7337160 0.80 CTSK (0.47) CTSSCTSKCTSLCTSB
SCHEMBL5277957 0.80 CTSS (0.52) CTSSCTSKCTSLCTSBMMP2
SCHEMBL14932686 0.80 CTSS (0.52) CTSSCTSKCTSLCTSBMMP2
SCHEMBL5350528 0.80 CTSS (0.52) CTSSCTSKCTSLCTSBMMP2
SCHEMBL7337172 0.78 MMP2 (0.42) MMP2MMP9MMP1MMP3MMP13
SCHEMBL31086879 0.75 CTSL (0.62) CTSSCTSKCTSLCTSBMMP2
SCHEMBL17789291 0.72 CTSL (0.54) CTSSCTSKCTSLCTSBMMP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416117-A Protease inhibitor MITSUBISHI KASEI CORPORATION (JP) 1995-05-16 US disclosed
EP-0520427-B1 Cyclopropenone derivatives MITSUBISHI CHEM IND (JP) 1994-12-14 EP disclosed
US-5328909-A Protease inhibitors MITSUBISHI KASEI CORPORATION (JP) 1994-07-12 US disclosed
EP-0520427-A1 Cyclopropenone derivatives Mitsubishi Chemical Corporation (JP) 1992-12-30 EP disclosed