SCHEMBL7424900

SCHEMBL7424900

N#Cc1ccc2c(c1)S(=O)(=O)CC2CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.45
PPARD Q03181 4/20 0.45
FFAR1 O14842 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.38
FFAR4 Q5NUL3 1/20 0.36
HSD11B1 P28845 1/20 0.36
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7437211 0.89 PPARA (0.42) PPARAPPARDFFAR1PTGDR2FFAR4
SCHEMBL24090486 0.80 SLC6A4 (0.34) PPARAPPARDKMT2ATSHR
SCHEMBL7428751 0.79 SLC10A2 (0.35) PPARDFFAR1PPARG
SCHEMBL7431183 0.79 FFAR1 (0.39) PPARDFFAR1PTGDR2PPARG
SCHEMBL7430025 0.75 MAPT (0.44) FFAR1PTGDR2
SCHEMBL7426297 0.75 CYP1A2 (0.40) FFAR4KMT2A
SCHEMBL15491211 0.74 CHRNA1 (0.37)
SCHEMBL8255489 0.74 VEGFA (0.42) KMT2A
SCHEMBL24075854 0.74 CHRNA1 (0.37)
SCHEMBL19695677 0.74 CHRNA1 (0.37)

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