SCHEMBL6745946

SCHEMBL6745946

CS(=O)(=O)c1cc(F)c(C2=CCC=C2c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.43
FEN1 P39748 4/20 0.43
APP P05067 2/20 0.40
PTGS2 P35354 2/20 0.39
KIF11 P52732 6/20 0.39
POLB P06746 1/20 0.38
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 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
SCHEMBL6746727 0.87 PTGS2 (0.47) PTGS2
SCHEMBL6746771 0.87 NR1H2 (0.41) ALOX5APFEN1PTGS2NR1H2NR1H3
SCHEMBL6743170 0.86 PTGS2 (0.48) PTGS2
SCHEMBL6747140 0.86 PTGS2 (0.36) ALOX5APFEN1PTGS2KIF11NR1H2
SCHEMBL6744141 0.85 PTGS2 (0.40) PTGS2
SCHEMBL6744681 0.84 PTGS2 (0.40) ALOX5APFEN1PTGS2KIF11NR1H2
SCHEMBL6745201 0.84 ACLY (0.43) ALOX5APFEN1PTGS2NR1H2NR1H3
SCHEMBL6745224 0.83 NR1H2 (0.40) ALOX5APFEN1PTGS2KIF11NR1H2
SCHEMBL6743034 0.83 NR1H2 (0.40) ALOX5APFEN1PTGS2KIF11NR1H2
SCHEMBL6744855 0.83 PTGS2 (0.41) ALOX5APFEN1PTGS2

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-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed