SCHEMBL6159571

SCHEMBL6159571

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.44
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6157180 0.91 CASP1 (0.54) CASP1
SCHEMBL6158545 0.83 MMP1 (0.40) CASP1ALDH1A1TSHR
SCHEMBL6160830 0.82 CASP1 (0.38) CASP1ALDH1A1TSHRCYP3A4CYP2D6
SCHEMBL6159566 0.79 CASP1 (0.67) CASP1
SCHEMBL6160059 0.76 LTB4R (0.38) CASP1ALDH1A1TSHRMAPK1TDP1
SCHEMBL6160388 0.75 CASP1 (0.44) CASP1ALDH1A1CYP3A4CYP2D6
SCHEMBL6159760 0.74 CASP1 (0.43) CASP1
SCHEMBL6158553 0.72 CASP1 (0.37) CASP1
SCHEMBL6158598 0.72 L3MBTL1 (0.41) ALDH1A1TSHRMAPK1TDP1
SCHEMBL6157176 0.70 CASP1 (0.80) CASP1

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