SCHEMBL8974707

SCHEMBL8974707

CS(=O)(=O)c1ccc(C2=CC(C(=O)O)C=C2c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.38
MAP4K4 O95819 2/20 0.38
POLB P06746 2/20 0.37
PTGS2 P35354 5/20 0.36
PTGS1 P23219 1/20 0.36
PIK3CA P42336 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KIF11 P52732 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
CTSK P43235 1/20 0.34
AKR1C3 P42330 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 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
SCHEMBL8974154 0.88 KIF11 (0.40) PPARDMAP4K4POLBPTGS2PTGS1
SCHEMBL8973893 0.87 POLB (0.38) PPARDMAP4K4POLBPTGS2PIK3CA
SCHEMBL8973860 0.86 PTGS2 (0.35) MAP4K4PTGS2PTGS1PI4KB
SCHEMBL8974150 0.85 ALOX5AP (0.40) MAP4K4POLBPTGS2PIK3CAKCNH2
SCHEMBL8974593 0.84 KIF11 (0.38) MAP4K4POLBPTGS2PIK3CAKCNH2
SCHEMBL8974223 0.83 POLB (0.37) PPARDMAP4K4POLBPTGS2PTGS1
SCHEMBL8974512 0.82 PTGS2 (0.52) PTGS2PTGS1PTGDR2KIF11AKR1C3
SCHEMBL8974076 0.82 POLB (0.38) PPARDMAP4K4POLBPTGS2PIK3CA
SCHEMBL8974776 0.82 PPARD (0.36) PPARDMAP4K4POLBPTGS2PIK3CA
SCHEMBL8974115 0.81 POLB (0.40) PPARDMAP4K4POLBPTGS2PTGS1

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
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed