SCHEMBL6159612

SCHEMBL6159612

CC(C)C(CC(=O)NOCc1ccccc1)C(=O)NC(CC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.58
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA5A P35218 7/20 0.41
CA5B Q9Y2D0 7/20 0.41
F10 P00742 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6160566 0.86 CASP1 (0.45) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6160169 0.82 CASP1 (0.78) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6159607 0.82 CASP1 (0.39) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6158679 0.81 CASP1 (0.74) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL7413096 0.80 CASP1 (0.61) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL7415849 0.80 CASP1 (0.61) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6159614 0.80 CASP1 (0.66) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL7380260 0.79 CASP1 (0.54) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6159999 0.79 CASP1 (0.71) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6158160 0.79 CASP1 (0.63) CASP1CYP1A2CYP2C19MEN1KMT2A

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 1 patent. 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