SCHEMBL6160822

SCHEMBL6160822

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.59
KDM1A O60341 1/20 0.45
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HPGD P15428 1/20 0.40
LTA4H P09960 2/20 0.39
ALPL P05186 1/20 0.38

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 0.89 CASP1 (0.70) CASP1RECQLKDM4EMTNR1AMTNR1B
SCHEMBL6158544 0.88 CASP1 (0.58) CASP1RECQLKDM4EMTNR1AMTNR1B
SCHEMBL6157176 0.84 CASP1 (0.80) CASP1
SCHEMBL6158531 0.84 CASP1 (0.60) CASP1KDM1ARECQLKDM4ESMN1; SMN2
SCHEMBL6159566 0.83 CASP1 (0.67) CASP1KDM1ARECQLKDM4ESMN1; SMN2
SCHEMBL6160830 0.79 CASP1 (0.38) CASP1SMN1; SMN2
SCHEMBL6160049 0.76 CASP1 (0.66) CASP1RECQLKDM4ESMN1; SMN2MTNR1A
SCHEMBL6160486 0.74 CASP1 (0.59) CASP1RECQLKDM4EMTNR1AMTNR1B
SCHEMBL6157556 0.74 CASP1 (0.59) CASP1RECQLKDM4EMTNR1AMTNR1B
SCHEMBL6160484 0.74 CASP1 (0.59) CASP1RECQLKDM4EMTNR1AMTNR1B

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