SCHEMBL5491769

SCHEMBL5491769

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ADAM17 P78536 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ANPEP P15144 1/20 0.35

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
SCHEMBL13596361 0.89 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MMEACE
SCHEMBL13888696 0.89 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MMEACE
SCHEMBL30493817 0.84 MME (0.59) MEN1KMT2ASMN1; SMN2MMEACE
SCHEMBL30493610 0.83 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MMEACE
SCHEMBL22860774 0.81 MME (0.51) MEN1KMT2ASMN1; SMN2MMEACE
SCHEMBL15692297 0.79 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2MMEACE
SCHEMBL30493819 0.77 ENPEP (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24933411 0.77 ALDH1A1 (0.34) SMN1; SMN2MMEACECPA1ACE2
SCHEMBL16317288 0.77 ALDH1A1 (0.34) SMN1; SMN2MMEACECPA1ACE2
SCHEMBL21424045 0.77 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KDM4EADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199103-B2 Synthetic compounds and compositions with enhanced cell binding THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-04-03 US disclosed
US-20050164944-A1 Synthetic compounds and compositions with enhanced cell binding THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-07-28 US disclosed
US-6818620-B2 POLYPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-11-16 US disclosed
US-20020037853-A1 Synthetic compounds and compositions with enhanced cell binding THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-03-28 US disclosed
US-6268348-B1 THAT MIMIC THE CONFORMATION NECESSARY FOR RECOGNITION AND DOCKING OF COLLAGEN BINDING SPECIES (SUCH AS CELL SURFACE RECEPTORS FOR COLLAGEN AND FIBRONECTIN) AND HAVE THE AMINO ACID RESIDUES-ILE-ALA-FOLDED IN A BETA-BEND. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-07-31 US disclosed
US-5958428-A SYNTHETIC PEPTIDES THAT MIMIC THE CONFORMATION NECESSARY FOR RECOGNITION AND DOCKING OF COLLAGEN BINDING SPECIES (SUCH AS CELL SURFACE RECEPTORS FOR COLLAGEN AND FIBRONECTIN) AND HAVE THE AMINO ACID RESIDUES-ILE-ALA-FOLDED IN A .BETA.-BEND THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-28 US disclosed
US-5674848-A PACKING MATERIAL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-07 US disclosed
US-5635482-A IMPLANT COMPRISING MATRIX FORMED OF BIOMATERIAL AND PEPTIDE HAVING ENHANCED CELL BINDING WITH RESPECT TO COLLAGEN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-06-03 US disclosed