SCHEMBL8406545

SCHEMBL8406545

CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.56
CTSS P25774 7/20 0.56
CTSK P43235 7/20 0.56
MMP1 P03956 2/20 0.56
MMP2 P08253 2/20 0.56
MMP3 P08254 2/20 0.56
MMP7 P09237 2/20 0.56
MMP9 P14780 2/20 0.56
MMP13 P45452 2/20 0.56
LARS1 Q9P2J5 1/20 0.54
ADAMTS4 O75173 3/20 0.50
CTSB P07858 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5191083 0.88 MMP2 (0.70) CTSLCTSSCTSKMMP1MMP2
SCHEMBL15251807 0.88 MMP2 (0.70) CTSLCTSSCTSKMMP1MMP2
SCHEMBL6561338 0.88 MMP2 (0.70) CTSLCTSSCTSKMMP1MMP2
SCHEMBL16388801 0.86 CTSL (0.57) CTSLCTSSCTSKMMP1MMP2
SCHEMBL31086879 0.85 CTSL (0.62) CTSLCTSSCTSKMMP1MMP2
SCHEMBL17789291 0.82 CTSL (0.54) CTSLCTSSCTSKMMP1MMP2
SCHEMBL31086926 0.81 MMP2 (0.82) MMP1MMP2MMP3MMP7MMP9
SCHEMBL21067512 0.81 MMP2 (0.82) MMP1MMP2MMP3MMP7MMP9
SCHEMBL21067511 0.81 MMP2 (0.82) MMP1MMP2MMP3MMP7MMP9
SCHEMBL19450360 0.80 MMP2 (0.67) CTSLCTSSCTSKMMP1MMP2

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-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed