SCHEMBL7309312

SCHEMBL7309312

CC(C)(C)ONC(=O)CC(Cc1ccccc1)Sc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
MMP13 P45452 2/20 0.37
MMP2 P08253 2/20 0.37
MMP1 P03956 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
ITGA4 P13612 1/20 0.35

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
SCHEMBL7311029 0.95 CTSS (0.39) MMP2POLBMAPK1CTSSCTSL
SCHEMBL7301071 0.91 CTSS (0.41) CTSSCTSLCTSBCTSKNPC1
SCHEMBL7310105 0.90 PPARG (0.42) MMP13MMP2MMP1
SCHEMBL7304806 0.90 PPARG (0.44) MMP13MMP2MMP1NPC1GAA
SCHEMBL7310171 0.86 SIRT5 (0.44) POLBCTSSCTSBCTSKANPEP
SCHEMBL7310697 0.84 SNCA (0.44) MMP13MMP2MMP1LMNAGAA
SCHEMBL27478790 0.83 PPARG (0.48)
SCHEMBL7301205 0.81 MME (0.46) MMP1ANPEP
SCHEMBL7310687 0.80 CYP1A1 (0.44) RAB9AITGA4ITGB7
SCHEMBL7308096 0.80 MMP1 (0.57) MMP13MMP2MMP1ACE

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed