SCHEMBL6157261

SCHEMBL6157261

CC(C)C(CC(=O)NCCCc1ccccc1)C(=O)NC(CO)CC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.58
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
EPHX2 P34913 6/20 0.41

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
SCHEMBL6157246 1.00 CASP1 (0.58) CASP1KMT2AHPGDALDH1A1CYP2D6
SCHEMBL6157251 1.00 CASP1 (0.58) CASP1KMT2AHPGDALDH1A1CYP2D6
SCHEMBL6160436 0.86 CASP1 (0.77) CASP1KMT2AHPGDALDH1A1
SCHEMBL6160430 0.86 CASP1 (0.77) CASP1KMT2AHPGDALDH1A1
SCHEMBL6160428 0.86 CASP1 (0.77) CASP1KMT2AHPGDALDH1A1
SCHEMBL27561937 0.75 KMT2A (0.68) CASP1KMT2AHPGDALDH1A1CYP2D6
SCHEMBL6158236 0.75 KMT2A (0.68) CASP1KMT2AHPGDALDH1A1CYP2D6
SCHEMBL27541292 0.74 KMT2A (0.60) CASP1KMT2AHPGDALDH1A1CYP2D6
SCHEMBL6157277 0.74 KMT2A (0.60) CASP1KMT2AHPGDALDH1A1CYP2D6
SCHEMBL6157640 0.74 CASP1 (1.00) CASP1KMT2AHPGDALDH1A1

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