SCHEMBL7873420

SCHEMBL7873420

CCC[C@@H]([C@@H](CCCc1ccoc1)C(=O)O)N(O)C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.39
MMP12 P39900 2/20 0.39
TLL1 O43897 1/20 0.39
TLL2 Q9Y6L7 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
DUSP3 P51452 2/20 0.37
CNR2 P34972 2/20 0.36
CETP P11597 1/20 0.36
FAAH O00519 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7876860 0.97 BMP1 (0.40) BMP1MMP12TLL1TLL2SLC1A3
SCHEMBL7387885 0.84 TLL1 (0.42) BMP1MMP12TLL1TLL2ALOX5
SCHEMBL7868080 0.81 TLL1 (0.43) BMP1MMP12TLL1TLL2ALOX5
SCHEMBL7876858 0.81 SLC1A3 (0.37) BMP1MMP12TLL1TLL2SLC1A3
SCHEMBL7876988 0.80 SLC1A3 (0.41) BMP1MMP12TLL1TLL2SLC1A3
SCHEMBL7876864 0.78 CYP2C19 (0.40) BMP1MMP12TLL1TLL2SLC1A3
SCHEMBL7868133 0.78 TDP1 (0.45) TDP1
SCHEMBL7879226 0.76 BMP1 (0.47) BMP1MMP12TLL1TLL2ALOX5
SCHEMBL7879178 0.75 ACE (0.39) BMP1MMP12TLL1TLL2SLC1A3
SCHEMBL7876934 0.75 BMP1 (0.37) BMP1MMP12TLL1TLL2ALOX5

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