SCHEMBL6157557

SCHEMBL6157557

CCN(Oc1ccccc1)C(=O)CC(C(=O)NC(CC(=O)OC(C)(C)C)C(N)=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.38
CASP1 P29466 3/20 0.37
ECE1 P42892 1/20 0.37
REN P00797 4/20 0.36
APP P05067 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
USP2 O75604 1/20 0.34
FCER2 P06734 1/20 0.33

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
SCHEMBL6158545 0.89 MMP1 (0.40) MMP1CASP1ECE1FCER2
SCHEMBL6158553 0.84 CASP1 (0.37) CASP1USP2
SCHEMBL6157550 0.77 CASP1 (0.59) MMP1CASP1ECE1REN
SCHEMBL6159760 0.77 CASP1 (0.43) CASP1REN
SCHEMBL6160059 0.74 LTB4R (0.38) CASP1
SCHEMBL6157180 0.74 CASP1 (0.54) CASP1
SCHEMBL6160388 0.73 CASP1 (0.44) CASP1
SCHEMBL6160830 0.73 CASP1 (0.38) CASP1
SCHEMBL6159571 0.73 CASP1 (0.44) CASP1
SCHEMBL6159063 0.69 CASP1 (0.61) CASP1ECE1

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