SCHEMBL7201733

SCHEMBL7201733

CC(C)CC(NC(=O)C(C)N)C(=O)NCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.38
CTSB P07858 4/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
MMP8 P22894 3/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CAPN1 P07384 5/20 0.37
CAPN9 O14815 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
LAP3 P28838 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSH P09668 1/20 0.36
CTSC P53634 1/20 0.36

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
SCHEMBL5176099 1.00 CTSL (0.38) CTSLCTSBCTSSCTSKMMP8
SCHEMBL6657992 0.87 ALDH1A1 (0.46) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL3495921 0.87 ALDH1A1 (0.46) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL3495919 0.87 ALDH1A1 (0.46) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7198213 0.86 OPRM1 (0.39) CTSLCTSBCTSSCTSKMMP8
SCHEMBL7198220 0.86 OPRM1 (0.39) CTSLCTSBCTSSCTSKMMP8
SCHEMBL14008029 0.85 ALDH1A1 (0.55) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7204776 0.85 PAX8 (0.41) MMP8DPP4
SCHEMBL22188067 0.85 DPP4 (0.39) CTSSCTSKDPP4ALDH1A1MAPT
SCHEMBL7204771 0.85 PAX8 (0.41) MMP8DPP4

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
US-20030050242-A1 Protein polymerization inhibitors and methods of use TRIPEP AB (SE) 2003-03-13 US disclosed
US-20020091086-A1 Peptides that block viral infectivity and methods of use thereof VAHLNE ANDERS (SE) 2002-07-11 US disclosed
EP-1207897-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING TRIPEPTIDES TRIPEP AB (SE) 2002-05-29 EP disclosed
US-6258932-B1 TRIPEPTIDE OF DEFINED AMINO ACID SEQUENCE AND HAVING A C-TERMINAL AMIDE; VIRICIDES; TREATMENT AND PREVENTION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (BE) 2001-07-10 US disclosed
WO-2001010457-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING TRIPEPTIDES TRIPEP AB (SE) 2001-02-15 WO disclosed