SCHEMBL7876572

SCHEMBL7876572

CCC[C@@H]([C@@H](Cc1occ2ccccc12)C(=O)O)N(O)C=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.34
MMP12 P39900 2/20 0.34
TLL1 O43897 1/20 0.34
TLL2 Q9Y6L7 1/20 0.34
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
ACE P12821 2/20 0.32
CMA1 P23946 1/20 0.31
MME P08473 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
ADAM17 P78536 1/20 0.31

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 0.79 SLC1A3 (0.49) BMP1MMP12TLL1TLL2ACE
SCHEMBL7874813 0.76 PPARG (0.44) BMP1MMP12TLL1TLL2PPARG
SCHEMBL7876948 0.76 SLC1A3 (0.40) BMP1MMP12TLL1TLL2
SCHEMBL7874743 0.74 CYP2C19 (0.48) BMP1MMP12TLL1TLL2MMP3
SCHEMBL7876857 0.73 NR4A2 (0.40) BMP1MMP12TLL1TLL2
SCHEMBL7873397 0.71 MMP3 (0.45) BMP1MMP12TLL1TLL2MMP3
SCHEMBL7387885 0.71 TLL1 (0.42) BMP1MMP12TLL1TLL2PPARG
SCHEMBL7879220 0.71 KMT2A (0.42) BMP1MMP12TLL1TLL2PPARG
SCHEMBL7868080 0.70 TLL1 (0.43) BMP1MMP12TLL1TLL2PPARG
SCHEMBL7876984 0.69 SLC1A3 (0.43) MME

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