SCHEMBL8899710

SCHEMBL8899710

CC1=C(CCONC(=O)CC=O)c2cc(F)ccc2C1=Cc1cc(C)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.43
▸ RXRA P19793 6/20 0.41
▸ CYP1A2 P05177 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL8901300 0.87 PPARG (0.44) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8899780 0.83 PPARG (0.43) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8900212 0.83 PPARG (0.49) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8899158 0.79 PPARG (0.48) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8901396 0.79 PPARG (0.40) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8901112 0.78 PPARG (0.44) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8649419 0.76 PPARG (0.67) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8899848 0.74 PPARG (0.38) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8900999 0.73 PPARG (0.37) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8901099 0.70 PPARG (0.41) PPARGRXRACYP1A2MAPTMAPK1

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
WO-1997041100-A1 IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-11-06 — — WO disclosed
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