SCHEMBL8406510

SCHEMBL8406510

CC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CAPN1 P07384 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 1/20 0.37
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CAPNS1 P04632 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8810086 0.91 CA2 (0.47) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8404245 0.91 CAPN1 (0.42) CAPN1CA1CA2CA7CA4
SCHEMBL8808434 0.91 MMP2 (0.37) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8403868 0.90 MMP13 (0.45) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8404228 0.85 CAPN1 (0.43) CAPN1MEN1KMT2ALMNACAPNS1
SCHEMBL8407770 0.84 CAPN1 (0.48) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8406511 0.84 CAPN1 (0.49) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8406503 0.84 CAPN1 (0.49) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8808273 0.84 SLC1A3 (0.39) CAPN1CA1CA2CA7CAPNS1
SCHEMBL8406506 0.83 CA1 (0.39) MMP2MMP1MMP3MMP7MMP9

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
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed