SCHEMBL6158544

SCHEMBL6158544

CC(C)C(CC(=O)NCCOc1ccccc1)C(=O)NC(C#N)CC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.58
RECQL P46063 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 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
SCHEMBL6159584 0.88 CASP1 (0.70) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6160822 0.88 CASP1 (0.59) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6159062 0.86 CASP1 (0.61) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6159063 0.86 CASP1 (0.61) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6159101 0.86 CASP1 (0.61) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6160486 0.84 CASP1 (0.59) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6160484 0.84 CASP1 (0.59) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6157550 0.84 CASP1 (0.59) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6157556 0.84 CASP1 (0.59) CASP1RECQLMTNR1AMTNR1BHPGD
SCHEMBL6158553 0.78 CASP1 (0.37) CASP1CTSSCTSK

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