SCHEMBL6158727

SCHEMBL6158727

CC(C)C(CC(=O)NCCOc1ccccc1)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CN(C(=O)OC(C)(C)C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.50
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6158549 0.85 CASP1 (0.44) CASP1CYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL6160566 0.83 CASP1 (0.45) CASP1CYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL6159999 0.82 CASP1 (0.71) CASP1CYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL6158555 0.80 CASP1 (0.41) CASP1CYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL6159642 0.78 CASP1 (0.49) CASP1
SCHEMBL6160573 0.76 CASP1 (0.42) CASP1CYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL6158554 0.75 CASP1 (0.45) CASP1CYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL6160486 0.75 CASP1 (0.59) CASP1ALDH1A1KMT2AMEN1MMP1
SCHEMBL6157556 0.75 CASP1 (0.59) CASP1ALDH1A1KMT2AMEN1MMP1
SCHEMBL6160484 0.75 CASP1 (0.59) CASP1ALDH1A1KMT2AMEN1MMP1

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