SCHEMBL7337172

SCHEMBL7337172

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.42
MMP9 P14780 9/20 0.42
MMP1 P03956 7/20 0.42
MMP13 P45452 6/20 0.42
MMP3 P08254 6/20 0.42
MMP14 P50281 4/20 0.34
MMP8 P22894 3/20 0.34
LARS1 Q9P2J5 2/20 0.33
ADAM17 P78536 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
REN P00797 2/20 0.33
NR1I2 O75469 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7344740 0.78 CTSS (0.47) MMP2MMP9MMP1MMP13MMP3
SCHEMBL7337160 0.70 CTSK (0.47) RENMAPTHTT
SCHEMBL5350533 0.61 CTSS (0.52) MMP2MMP9MMP1MMP13MMP3
SCHEMBL5350528 0.61 CTSS (0.52) MMP2MMP9MMP1MMP13MMP3
SCHEMBL5277957 0.61 CTSS (0.52) MMP2MMP9MMP1MMP13MMP3
SCHEMBL14932686 0.61 CTSS (0.52) MMP2MMP9MMP1MMP13MMP3
SCHEMBL7054085 0.60 MMP2 (1.00) MMP2MMP9MMP1MMP13MMP3
SCHEMBL7333112 0.59 CTSS (0.48) MMP2MMP9MMP1MMP13MMP3
SCHEMBL7333126 0.59 CTSS (0.48) MMP2MMP9MMP1MMP13MMP3
SCHEMBL7053943 0.59 MMP2 (0.80) MMP2MMP9MMP1MMP13MMP3

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