SCHEMBL7437211

SCHEMBL7437211

N#Cc1ccc2c(c1)C(CC(=O)O)CS2(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARD Q03181 3/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HTT P42858 1/20 0.35
PPARG P37231 2/20 0.34
VEGFA P15692 3/20 0.33
HSD11B1 P28845 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33

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
SCHEMBL7424900 0.89 PPARA (0.45) PPARAPPARDPTGDR2FFAR1FFAR4
SCHEMBL7430025 0.75 MAPT (0.44) PTGDR2FFAR1
SCHEMBL6210766 0.72 PPARG (0.50) PPARAPPARDFFAR1PPARG
SCHEMBL7432290 0.72 KDM4E (0.36) PTGDR2VEGFA
SCHEMBL7428751 0.70 SLC10A2 (0.35) PPARDFFAR1PPARG
SCHEMBL7431183 0.70 FFAR1 (0.39) PPARDPTGDR2FFAR1PPARG
SCHEMBL24090486 0.69 SLC6A4 (0.34) PPARAPPARDCHRNA1CHRNGCHRNB1
SCHEMBL6808270 0.68 PPARD (0.62) PPARAPPARDPTGDR2FFAR1PPARG
SCHEMBL7425055 0.67 TP53 (0.32)
SCHEMBL7426297 0.67 CYP1A2 (0.40) FFAR4HTTCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 EP disclosed