SCHEMBL6160437

SCHEMBL6160437

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCOc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.52
CASP3 P42574 9/20 0.47
CASP7 P55210 8/20 0.47
CASP6 P55212 7/20 0.42
CASP8 Q14790 7/20 0.42
RECQL P46063 1/20 0.41
KDM1A O60341 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL6157827 0.87 CASP1 (0.43) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6157985 0.86 CASP3 (0.41) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6157558 0.85 KMT2A (0.48) CASP1MTNR1AMTNR1B
SCHEMBL6161964 0.80 CASP1 (0.54) CASP1SMN1; SMN2NPC1RAB9AMTNR1A
SCHEMBL6159833 0.79 CASP1 (0.54) CASP1KDM4EMTNR1A
SCHEMBL6161919 0.79 CASP1 (0.47) CASP1KDM4ESMN1; SMN2RAB9A
SCHEMBL6158761 0.79 CASP1 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6159212 0.78 CASP1 (0.55) CASP1KDM4ESMN1; SMN2
SCHEMBL6158900 0.75 CASP1 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6160192 0.75 CASP3 (0.33) CASP1CASP3CASP7CASP6CASP8

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 2 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