SCHEMBL8330341

SCHEMBL8330341

COc1cc(C=C2C(C)=C(CC(=O)O)c3cc(F)ccc32)cc(Br)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 14/20 0.64
▸ RXRA P19793 5/20 0.63
▸ CYP1A2 P05177 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ PTGS2 P35354 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ EGFR P00533 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ OPRM1 P35372 1/20 0.58
▸ PSEN1 P49768 1/20 0.58
▸ PSEN2 P49810 1/20 0.58
▸ APH1B Q8WW43 1/20 0.58
▸ NCSTN Q92542 1/20 0.58
▸ APH1A Q96BI3 1/20 0.58
▸ PSENEN Q9NZ42 1/20 0.58
▸ CYSLTR1 Q9Y271 1/20 0.58
▸ PTGDR2 Q9Y5Y4 1/20 0.58

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
SCHEMBL8330334 1.00 PPARG (0.64) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8330337 1.00 PPARG (0.64) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL6936351 0.93 PPARG (0.71) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL6938658 0.93 PPARG (0.71) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL6936353 0.93 PPARG (0.71) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8149963 0.92 PPARG (0.69) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL19862425 0.87 PPARG (0.72) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL17819202 0.86 PPARG (0.71) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL17819199 0.86 PPARG (0.71) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8148383 0.85 PPARG (0.69) 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
US-5998477-A MIXTURE OF DRUG AND CARRIER CELL PATHWAYS INC. (US) 1999-12-07 — — US disclosed
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