SCHEMBL6159062

SCHEMBL6159062

CC(C)C(CC(=O)NCCOc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.61
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
SUCNR1 Q9BXA5 7/20 0.43
RECQL P46063 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ECE1 P42892 2/20 0.40

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
SCHEMBL6159063 1.00 CASP1 (0.61) CASP1ITGB3ITGA2BSUCNR1RECQL
SCHEMBL6159101 1.00 CASP1 (0.61) CASP1ITGB3ITGA2BSUCNR1RECQL
SCHEMBL6157550 0.92 CASP1 (0.59) CASP1ITGB3ITGA2BRECQLMTNR1A
SCHEMBL6157556 0.92 CASP1 (0.59) CASP1ITGB3ITGA2BSUCNR1RECQL
SCHEMBL6160484 0.92 CASP1 (0.59) CASP1ITGB3ITGA2BSUCNR1RECQL
SCHEMBL6160486 0.92 CASP1 (0.59) CASP1ITGB3ITGA2BSUCNR1RECQL
SCHEMBL6158544 0.86 CASP1 (0.58) CASP1RECQLMTNR1AMTNR1BNPC1
SCHEMBL6158531 0.80 CASP1 (0.60) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6160049 0.79 CASP1 (0.66) CASP1RECQLMTNR1AMTNR1BNPC1
SCHEMBL6159749 0.78 CASP1 (0.68) CASP1RECQLMTNR1AMTNR1BHPGD

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