SCHEMBL7874813

SCHEMBL7874813

CCC[C@@H]([C@@H](Cc1ccc2ccccc2c1)C(=O)O)N(O)C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
MME P08473 7/20 0.44
ACE P12821 5/20 0.44
CPA1 P15085 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
FCER2 P06734 1/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TLL1 O43897 1/20 0.38

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
SCHEMBL7879214 0.86 SLC1A3 (0.49) MMEACESLC1A3SLC1A2SLC1A1
SCHEMBL7879220 0.81 KMT2A (0.42) PPARGPPARAMMEACECPA1
SCHEMBL7876572 0.76 BMP1 (0.34) PPARGPPARAMMEACECPA1
SCHEMBL7876984 0.76 SLC1A3 (0.43) MMESLC1A3SLC1A2SLC1A1
SCHEMBL7387885 0.76 TLL1 (0.42) PPARGPPARAACETLL1BMP1
SCHEMBL7868080 0.75 TLL1 (0.43) PPARGTLL1BMP1MMP12TLL2
SCHEMBL7868067 0.74 SLC1A1 (0.40) PPARAMMEACESLC1A3SLC1A2
SCHEMBL7874743 0.74 CYP2C19 (0.48) SLC1A3SLC1A2SLC1A1MMP9TLL1
SCHEMBL7876948 0.74 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL5052927 0.74 PPARG (0.43) PPARGPPARAMMEACECPA1

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