SCHEMBL6157421

SCHEMBL6157421

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCc1c[nH]c2c(C)cccc12)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.41
MAPT P10636 2/20 0.40
MTNR1A P48039 5/20 0.37
MTNR1B P49286 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS1 P23219 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 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
SCHEMBL6159833 0.88 CASP1 (0.54) CASP1MAPTMTNR1AMEN1KMT2A
SCHEMBL6158570 0.83 CASP1 (0.49) CASP1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6157870 0.83 CASP1 (0.56) CASP1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6157542 0.82 MTNR1A (0.49) CASP1MAPTMTNR1AMTNR1BMEN1
SCHEMBL6157827 0.80 CASP1 (0.43) CASP1MEN1KMT2APOLBCASP3
SCHEMBL6161919 0.80 CASP1 (0.47) CASP1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6157558 0.77 KMT2A (0.48) CASP1MAPTMTNR1AMTNR1BKMT2A
SCHEMBL6157985 0.76 CASP3 (0.41) CASP1CASP3CASP7CASP8
SCHEMBL6160437 0.76 CASP1 (0.52) CASP1MTNR1AMTNR1BSMN1; SMN2RAB9A
SCHEMBL6161964 0.72 CASP1 (0.54) CASP1MAPTMTNR1AMTNR1BSMN1; SMN2

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