SCHEMBL6158900

SCHEMBL6158900

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCCc1cc(OC)c(OC)c(OC)c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CTSD P07339 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34

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
SCHEMBL6157558 0.83 KMT2A (0.48) CASP1KMT2AMAPTALDH1A1
SCHEMBL6157542 0.74 MTNR1A (0.49) CASP1MEN1KMT2AMAPTALDH1A1
SCHEMBL7481736 0.74 KMT2A (0.34) MEN1KMT2ATP53MAPT
SCHEMBL6161919 0.72 CASP1 (0.47) CASP1MEN1KMT2ATP53
SCHEMBL6158570 0.72 CASP1 (0.49) CASP1MEN1KMT2A
SCHEMBL6157870 0.72 CASP1 (0.56) CASP1MEN1KMT2A
SCHEMBL7474319 0.71 KMT2A (0.33) MEN1KMT2A
SCHEMBL6164297 0.70 CASP1 (0.73) CASP1
SCHEMBL28629684 0.62 KMT2A (0.65) MEN1KMT2A
SCHEMBL16281631 0.60 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