SCHEMBL6158545

SCHEMBL6158545

CCOC(=O)CC(NC(=O)C(CC(=O)N(CC)Oc1ccccc1)C(C)C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.40
ECE1 P42892 2/20 0.39
CASP1 P29466 3/20 0.39
ACE P12821 5/20 0.35
MME P08473 4/20 0.35
CPA1 P15085 4/20 0.35
ACE2 Q9BYF1 4/20 0.35
FCER2 P06734 3/20 0.35
F2 P00734 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6157180 0.84 CASP1 (0.54) CASP1
SCHEMBL6159571 0.83 CASP1 (0.44) CASP1ALDH1A1TSHR
SCHEMBL6160830 0.83 CASP1 (0.38) CASP1ALDH1A1TSHR
SCHEMBL6159760 0.79 CASP1 (0.43) CASP1
SCHEMBL6158531 0.78 CASP1 (0.60) ECE1CASP1
SCHEMBL6160059 0.77 LTB4R (0.38) CASP1ALDH1A1TSHR
SCHEMBL6160388 0.76 CASP1 (0.44) CASP1ALDH1A1
SCHEMBL6158553 0.73 CASP1 (0.37) CASP1
SCHEMBL6158598 0.73 L3MBTL1 (0.41) ALDH1A1TSHR
SCHEMBL6160471 0.68 CASP1 (0.53) CASP1ALDH1A1

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
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
EP-1082127-A4 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP disclosed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999056765-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-11-11 WO disclosed