SCHEMBL8893722

SCHEMBL8893722

COCCC=NOCCC1=C(C)C(=Cc2ccncc2)c2ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.44
▸ RXRA P19793 6/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ PMP22 Q01453 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ C5 P01031 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42

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
SCHEMBL8891797 0.91 PPARG (0.45) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8900679 0.91 PPARG (0.45) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8900757 0.89 PPARG (0.47) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8909175 0.86 PPARG (0.43) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8924867 0.86 PPARG (0.48) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8891390 0.86 PPARG (0.48) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8893678 0.84 RXRA (0.43) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8902387 0.83 PPARG (0.53) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8900999 0.82 PPARG (0.37) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8900278 0.80 PPARG (0.52) 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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