SCHEMBL9710902

SCHEMBL9710902

CSc1ccc2c(c1)C(OC(C)=O)=C(C)C2=Cc1ccc([S+](C)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PTGS1 P23219 2/20 0.42
EGFR P00533 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD1 P21728 1/20 0.42
PTGS2 P35354 1/20 0.42
OPRM1 P35372 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
RXRA P19793 4/20 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
SCHEMBL8681338 0.86 PPARG (0.38) PPARGCYP1A2MAPTMAPK1TDP1
SCHEMBL5712317 0.85 PPARG (0.48) PPARGCYP1A2MAPTMAPK1TDP1
SCHEMBL5712320 0.85 PPARG (0.48) PPARGCYP1A2MAPTMAPK1TDP1
SCHEMBL7632790 0.85 LRRK2 (0.38) PPARGCYP1A2MAPTMAPK1TDP1
SCHEMBL7937486 0.85 MEN1 (0.33) PPARGCYP1A2MAPTMAPK1TDP1
SCHEMBL7632675 0.84 PPARG (0.39) PPARGMAPTRXRAMEN1KMT2A
SCHEMBL7930958 0.83 PPARG (0.35) PPARGCYP1A2MAPTMAPK1TDP1
SCHEMBL7939964 0.82 PPARG (0.32) PPARGCYP1A2MAPTMAPK1TDP1
SCHEMBL7632829 0.81 PPARG (0.48) PPARGCYP1A2MAPTMAPK1TDP1
SCHEMBL5712308 0.81 PPARG (0.64) PPARGCYP1A2MAPTMAPK1TDP1

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
EP-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 EP disclosed