SCHEMBL6830897

SCHEMBL6830897

CC(C)C[C@H](NC(=O)Cc1ccccc1-c1ccccc1)C(=O)OC(=O)CCC(=O)C(N)OP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.40
PGGT1B P53609 7/20 0.40
FNTB P49356 5/20 0.40
KCNA5 P22460 1/20 0.39
CLPP Q16740 2/20 0.35
MMP1 P03956 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CASP3 P42574 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL7417962 0.88 BCL2L1 (0.38) FNTAPGGT1BFNTBKCNA5TDP1
SCHEMBL6832903 0.85 KCNA5 (0.39) FNTAPGGT1BFNTBKCNA5CLPP
SCHEMBL6830895 0.75 CASP3 (0.43) FNTAPGGT1BFNTBKCNA5CLPP
SCHEMBL7418208 0.73 LMNA (0.52) TDP1CASP3CASP6CASP8
SCHEMBL7204618 0.71 CASP3 (0.59) CLPPCASP3CASP6CASP8
SCHEMBL6832902 0.67 MME (0.39) FNTAPGGT1BFNTBKCNA5CLPP
SCHEMBL27544012 0.67 ALDH1A1 (0.42) TDP1ACE
SCHEMBL7201963 0.64 CASP3 (0.48) CLPPMMEACECPA1ACE2
SCHEMBL7201964 0.64 CASP3 (0.48) CLPPMMEACECPA1ACE2
SCHEMBL7361590 0.64 ALDH1A1 (0.50) FNTAFNTBMMP1MMEACE

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-1480999-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals (US) 2004-12-01 EP disclosed
WO-2003072528-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed