SCHEMBL7104435

SCHEMBL7104435

COc1ccc2c(c1)C(CC(N)=O)=C(C)/C2=C/c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.60
RXRA P19793 5/20 0.57
EGFR P00533 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.44
DRD1 P21728 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
PTGS2 P35354 1/20 0.44
OPRM1 P35372 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL8150043 0.90 PPARG (0.72) PPARGRXRAEGFRCYP1A2ADORA3
SCHEMBL8150041 0.90 PPARG (0.72) PPARGRXRAEGFRCYP1A2ADORA3
SCHEMBL7147839 0.90 PPARG (0.72) PPARGRXRAEGFRCYP1A2ADORA3
SCHEMBL8151007 0.88 PPARG (0.60) PPARGRXRAEGFRCYP1A2ADORA3
SCHEMBL8151005 0.88 PPARG (0.60) PPARGRXRAEGFRCYP1A2ADORA3
SCHEMBL8150999 0.88 PPARG (0.60) PPARGRXRAEGFRCYP1A2ADORA3
SCHEMBL7903410 0.85 PPARG (0.54) PPARGRXRA
SCHEMBL7149706 0.84 PPARG (0.60) PPARGRXRAEGFRCYP1A2ADORA3
SCHEMBL24101432 0.84 PPARG (0.67) PPARGRXRAEGFRCYP1A2ADORA3
SCHEMBL8741430 0.82 RXRA (0.53) PPARGRXRACYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769940-B1 INDENE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-09-17 EP disclosed
US-6214876-B1 PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY 2001-04-10 US disclosed
EP-0769940-A4 1997-06-11 EP disclosed
EP-0769940-A1 INDENE sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-02 EP disclosed
WO-1996003120-A1 INDENE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed