SCHEMBL27648772

SCHEMBL27648772

FC(F)(F)C1C=Cc2cc(Cl)c(COc3ccccc3)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.37
▸ PTGS1 P23219 9/20 0.37
▸ DDR1 Q08345 1/20 0.36
▸ AR P10275 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NR4A2 P43354 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL5565731 0.77 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5648632 0.76 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7150452 0.72 POLB (0.39) —
SCHEMBL5648887 0.71 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7849593 0.70 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL28756592 0.69 PTGS2 (0.39) PTGS2PTGS1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6022329 0.68 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL29663770 0.66 P2RY6 (0.41) ALDH1A1MAPT
SCHEMBL5559818 0.64 PTGS1 (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL8877336 0.62 MAOB (0.42) DDR1NR4A2NPC1RAB9AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 — — CN disclosed
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