SCHEMBL5969995

SCHEMBL5969995

CC(C)[C@H](NC(=O)c1[nH]c2ccccc2c1CCCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.47
CASP8 Q14790 11/20 0.45
CASP1 P29466 7/20 0.45
CASP7 P55210 7/20 0.45
CASP6 P55212 3/20 0.42
CASP9 P55211 1/20 0.42
MCL1 Q07820 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL5969948 0.86 CASP3 (0.47) CASP3CASP8CASP1CASP7CASP6
SCHEMBL5970032 0.85 MCL1 (0.42) CASP1MCL1ESR1ESR2
SCHEMBL8608833 0.85 CASP3 (0.44) CASP3CASP8CASP1CASP7CASP6
SCHEMBL5970715 0.84 GAA (0.50) CASP3CASP8CASP1CASP7CASP6
SCHEMBL8606968 0.78 CASP3 (0.41) CASP3CASP8CASP1CASP7CASP6
SCHEMBL5970017 0.77 CASP3 (0.42) CASP3CASP8CASP1CASP7CASP6
SCHEMBL5667954 0.75 CASP3 (0.47) CASP3CASP8CASP1CASP7CASP6
SCHEMBL2023877 0.73 CASP3 (0.53) CASP3CASP8CASP1CASP7CASP6
SCHEMBL2023872 0.73 CASP3 (0.53) CASP3CASP8CASP1CASP7CASP6
SCHEMBL5970102 0.73 CASP3 (0.43) CASP3CASP8CASP1CASP7CASP6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929311-B8 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS INC (US) 2006-02-01 EP disclosed
EP-1443935-A2 TREATMENT OF INFECTIOUS DISEASE USING INTERLEUKIN-1 BETA CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
WO-2003032918-A2 TREATMENT OF INFECTIOUS DISEASE USING INTERLEUKIN-1 BETA CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 2003-04-24 WO disclosed
WO-2002070544-A2 METHODS, COMPOSITIONS AND KITS FOR PRESERVING ANTIGENICITY IDUN PHARMACEUTICALS, INC. (US) 2002-09-12 WO disclosed
EP-1159291-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-12-05 EP disclosed
EP-0929311-A4 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS INC (US) 2001-08-29 EP disclosed
WO-2001000658-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-01-04 WO disclosed
EP-0929311-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 1999-07-21 EP disclosed
WO-1998010778-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1β-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 1998-03-19 WO disclosed