SCHEMBL6162615

SCHEMBL6162615

CC(=O)c1ccc2[nH]cc(CCNC(=O)CC(C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC34CCC(CC3=O)C4(C)C)C(C)C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.68
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA5A P35218 4/20 0.36
CA5B Q9Y2D0 4/20 0.36
ITGB3 P05106 4/20 0.35
ITGAV P06756 4/20 0.35
ITGA2B P08514 1/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL6158472 0.91 CASP1 (0.77) CASP1CA1CA2CA5ACA5B
SCHEMBL6158349 0.89 CASP1 (0.68) CASP1CA1CA2CA5ACA5B
SCHEMBL6159064 0.86 CASP1 (0.73) CASP1CA1CA2CA5ACA5B
SCHEMBL6162623 0.85 CASP1 (0.52) CASP1CA1CA2CA5ACA5B
SCHEMBL6160169 0.83 CASP1 (0.78) CASP1CA1CA2CA5ACA5B
SCHEMBL6159520 0.81 CASP1 (0.71) CASP1CA1CA2CA5ACA5B
SCHEMBL6158315 0.81 CASP1 (0.62) CASP1ITGB3ITGAVCYP2C19ALDH1A1
SCHEMBL6159719 0.81 CASP1 (0.72) CASP1CA1CA2CA5ACA5B
SCHEMBL6160002 0.81 CASP1 (1.00) CASP1CA1CA2CA5ACA5B
SCHEMBL6158679 0.81 CASP1 (0.74) CASP1CA1CA2CA5ACA5B

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 5 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 claimed
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