SCHEMBL8974615

SCHEMBL8974615

CCC1(CC)C=C(c2ccc(C(F)(F)F)cc2)C(c2ccc(S(C)(=O)=O)nc2)=C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
PTGS2 P35354 7/20 0.37
KIF11 P52732 2/20 0.37
PTGS1 P23219 1/20 0.36
CTSK P43235 1/20 0.36
MAP4K4 O95819 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
RORC P51449 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35

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
SCHEMBL9119094 0.90 POLB (0.38) POLBALOX5APFEN1SLC22A12PTGS2
SCHEMBL8974809 0.89 PTGS2 (0.40) POLBALOX5APFEN1SLC22A12PTGS2
SCHEMBL8973783 0.89 KIF11 (0.40) POLBALOX5APFEN1SLC22A12PTGS2
SCHEMBL8973745 0.86 POLB (0.39) POLBALOX5APFEN1SLC22A12PTGS2
SCHEMBL8974553 0.86 PTGS2 (0.44) PTGS2PTGS1KCNH2PI4KBRORC
SCHEMBL8974352 0.85 POLB (0.38) POLBALOX5APFEN1SLC22A12PTGS2
SCHEMBL9118890 0.84 PTGS2 (0.48) POLBALOX5APFEN1SLC22A12PTGS2
SCHEMBL8974115 0.82 POLB (0.40) POLBALOX5APFEN1SLC22A12PTGS2
SCHEMBL9119889 0.82 PTGS2 (0.43) POLBALOX5APFEN1SLC22A12PTGS2
SCHEMBL9118159 0.82 PTGS2 (0.43) POLBALOX5APFEN1SLC22A12PTGS2

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