SCHEMBL7879178

SCHEMBL7879178

CC(Cc1ccccc1)C[C@@H](C(=O)O)[C@@H](CCc1ccoc1)N(O)C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
DUSP3 P51452 2/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
TLL1 O43897 1/20 0.33
BMP1 P13497 1/20 0.33
MMP12 P39900 1/20 0.33
TLL2 Q9Y6L7 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7877013 0.77 ACE (0.37) ACEPTPN1HPGD
SCHEMBL7873420 0.75 BMP1 (0.39) KMT2AMEN1PTPN2PTPN1DUSP3
SCHEMBL7876860 0.74 BMP1 (0.40) KMT2AMEN1PTPN2PTPN1DUSP3
SCHEMBL7903959 0.74 ACE (0.53) ACESLC1A3SLC1A2SLC1A1
SCHEMBL7876858 0.72 SLC1A3 (0.37) KMT2AMEN1PTPN2PTPN1DUSP3
SCHEMBL7879214 0.71 SLC1A3 (0.49) ACESLC1A3SLC1A2SLC1A1TLL1
SCHEMBL7876890 0.71 ACE (0.38) ACEKMT2AMEN1SLC1A3SLC1A2
SCHEMBL7876539 0.69 SMN1; SMN2 (0.46) ACEKMT2AMEN1SLC1A3SLC1A2
SCHEMBL7387885 0.66 TLL1 (0.42) ACETLL1BMP1MMP12TLL2
SCHEMBL7868080 0.66 TLL1 (0.43) TLL1BMP1MMP12TLL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed