SCHEMBL6988063

SCHEMBL6988063

CC(C)(C)OC(=O)N[C@@H](CSc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.52
PPARG P37231 5/20 0.52
PPARD Q03181 2/20 0.50
MMP13 P45452 1/20 0.49
REN P00797 2/20 0.47
CTSS P25774 5/20 0.47
CTSK P43235 4/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL4671732 0.89 PPARA (0.64) PPARAPPARGPPARDMMP13CTSS
SCHEMBL5142486 0.89 PPARA (0.64) PPARAPPARGPPARDMMP13CTSS
SCHEMBL4671738 0.89 PPARA (0.64) PPARAPPARGPPARDMMP13CTSS
SCHEMBL2948733 0.87 NFKB1 (0.53) PPARAPPARGPPARDMMP13CTSS
SCHEMBL2951876 0.87 NFKB1 (0.53) PPARAPPARGPPARDMMP13CTSS
SCHEMBL4673130 0.86 MMP13 (0.49) PPARAPPARGPPARDMMP13CTSS
SCHEMBL4673137 0.86 MMP13 (0.49) PPARAPPARGPPARDMMP13CTSS
SCHEMBL6578569 0.85 PPARA (0.50) PPARAPPARGPPARDMMP13CTSS
SCHEMBL7490297 0.85 PPARA (0.50) PPARAPPARGPPARDMMP13CTSS
SCHEMBL7494588 0.85 PPARA (0.50) PPARAPPARGPPARDMMP13CTSS

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-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed