SCHEMBL6160830

SCHEMBL6160830

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.38
CTSC P53634 5/20 0.36
CTSK P43235 5/20 0.35
CTSL P07711 4/20 0.35
CTSS P25774 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CTSH P09668 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 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
SCHEMBL6160388 0.91 CASP1 (0.44) CASP1CTSCCTSKCTSLCTSS
SCHEMBL6158553 0.90 CASP1 (0.37) CASP1CTSCCTSKCTSLCTSS
SCHEMBL6157180 0.83 CASP1 (0.54) CASP1
SCHEMBL6158545 0.83 MMP1 (0.40) CASP1ALDH1A1TSHR
SCHEMBL6159571 0.82 CASP1 (0.44) CASP1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL6160822 0.79 CASP1 (0.59) CASP1SMN1; SMN2
SCHEMBL6160059 0.76 LTB4R (0.38) CASP1ALDH1A1POLBTSHR
SCHEMBL6159760 0.74 CASP1 (0.43) CASP1
SCHEMBL6158598 0.72 L3MBTL1 (0.41) CTSKCTSLCTSSALDH1A1TSHR
SCHEMBL2296521 0.69 CTSL (0.55) CTSKCTSLCTSS

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