SCHEMBL7672483

SCHEMBL7672483

CC(C)CC(NC(=O)C(C)Nc1cccc2ccccc12)C(=O)[C@H](C=O)C(N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.48
PSMB5 P28074 1/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MME P08473 2/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
FNTA P49354 1/20 0.37

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
SCHEMBL7625305 1.00 ANPEP (0.48) ANPEPPSMB5MEN1KMT2AMAPT
SCHEMBL7622869 0.82 CASP3 (0.52) ANPEPPSMB5MMEACECPA1
SCHEMBL7416213 0.82 CASP3 (0.52) ANPEPPSMB5MMEACECPA1
SCHEMBL14598390 0.79 ANPEP (0.52) ANPEPPSMB5MEN1KMT2AMAPT
SCHEMBL5490065 0.79 ANPEP (0.52) ANPEPPSMB5MEN1KMT2AMAPT
SCHEMBL7467278 0.79 CASP3 (0.53) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7627735 0.78 CASP3 (0.57) ANPEPPSMB5NTSR1
SCHEMBL7420035 0.78 CASP3 (0.57) ANPEPPSMB5NTSR1
SCHEMBL7413527 0.78 CASP3 (0.57) ANPEPPSMB5NTSR1
SCHEMBL7619325 0.78 CASP3 (0.57) ANPEPPSMB5NTSR1

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-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO disclosed