SCHEMBL8973759

SCHEMBL8973759

COC(=O)C1(C(=O)OC)C=C(c2ccc(C(F)(F)F)cc2)C(c2ccc(S(C)(=O)=O)nc2)=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CTSK P43235 1/20 0.39
PPARD Q03181 3/20 0.37
KIF11 P52732 1/20 0.36
GPR119 Q8TDV5 6/20 0.36
SLC22A12 Q96S37 1/20 0.36
POLQ O75417 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
PTGS2 P35354 1/20 0.34
MAP4K4 O95819 2/20 0.34
PIK3CA P42336 1/20 0.34
KCNH2 Q12809 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL8973763 0.91 POLB (0.41) POLBPPARDKIF11GPR119MMP1
SCHEMBL8974115 0.88 POLB (0.40) POLBCTSKPPARDKIF11GPR119
SCHEMBL8974258 0.87 PTGS2 (0.41) POLBCTSKGPR119POLQPTGS2
SCHEMBL8973745 0.83 POLB (0.39) POLBCTSKKIF11SLC22A12PTGS2
SCHEMBL8975759 0.83 PTGS2 (0.50) KIF11MMP1MMP2MMP3MMP7
SCHEMBL8974352 0.82 POLB (0.38) POLBCTSKKIF11SLC22A12PTGS2
SCHEMBL8974809 0.81 PTGS2 (0.40) POLBCTSKPPARDGPR119SLC22A12
SCHEMBL9117985 0.81 KCNH2 (0.51) PTGS2MAP4K4PIK3CAKCNH2MINK1
SCHEMBL8974117 0.81 PTGS2 (0.40) GPR119MMP1MMP2MMP3MMP7
SCHEMBL9118890 0.81 PTGS2 (0.48) POLBCTSKKIF11SLC22A12PTGS2

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