SCHEMBL8974809

SCHEMBL8974809

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.40
PTGS1 P23219 4/20 0.40
POLB P06746 2/20 0.40
SLC22A12 Q96S37 1/20 0.39
MAP4K4 O95819 2/20 0.38
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CTSK P43235 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PPARD Q03181 1/20 0.36

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
SCHEMBL8974615 0.89 POLB (0.40) PTGS2PTGS1POLBSLC22A12MAP4K4
SCHEMBL9119094 0.89 POLB (0.38) PTGS2PTGS1POLBSLC22A12MAP4K4
SCHEMBL8974753 0.88 KIF11 (0.40) PTGS2PTGS1POLBSLC22A12MAP4K4
SCHEMBL8974505 0.86 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8974115 0.86 POLB (0.40) PTGS2PTGS1POLBSLC22A12MAP4K4
SCHEMBL8973745 0.85 POLB (0.39) PTGS2POLBSLC22A12MAP4K4PIK3CA
SCHEMBL8974352 0.84 POLB (0.38) PTGS2POLBSLC22A12MAP4K4PIK3CA
SCHEMBL9118890 0.83 PTGS2 (0.48) PTGS2PTGS1POLBSLC22A12MAP4K4
SCHEMBL8974536 0.82 PTGS2 (0.52) PTGS2PTGS1PTGDR2
SCHEMBL8973759 0.81 POLB (0.41) PTGS2POLBSLC22A12MAP4K4PIK3CA

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-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed