SCHEMBL7876532

SCHEMBL7876532

C[C@@H]([C@@H](CCCCCc1ccccc1)C(=O)O)N(O)C=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.46
ALOX5 P09917 1/20 0.43
TRPA1 O75762 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
FAAH O00519 1/20 0.40

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
SCHEMBL7873373 0.99 LTB4R (0.44) LTB4RALOX5TRPA1S1PR2S1PR4
SCHEMBL4290877 0.95 GRIK1 (0.43) LTB4RALOX5
SCHEMBL7879161 0.95 GRIK1 (0.43) LTB4RALOX5
SCHEMBL7876539 0.89 SMN1; SMN2 (0.46)
SCHEMBL7953565 0.87 FDFT1 (0.43)
SCHEMBL7946312 0.84 DPP4 (0.38) ALOX5S1PR2S1PR4S1PR1S1PR3
SCHEMBL7874835 0.84 FFAR1 (0.44)
SCHEMBL7431816 0.83 PPARA (0.47)
SCHEMBL7868080 0.82 TLL1 (0.43) LTB4RALOX5TRPA1
SCHEMBL7879247 0.82 GRIK1 (0.41) LTB4RALOX5

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 3 patents. 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 claimed
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
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed