SCHEMBL7305424

SCHEMBL7305424

COc1ccc(-c2cc(=O)c3c(O)cc(OCC(=O)NOCc4ccccc4)cc3o2)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.58
ABL1 P00519 6/20 0.53
KDM5A P29375 1/20 0.50
CYP1B1 Q16678 1/20 0.49
ABCB1 P08183 1/20 0.49
MAPT P10636 1/20 0.49
EGFR P00533 10/20 0.48

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
SCHEMBL7319109 0.91 PPARG (0.55) PPARGABL1CYP1B1MAPTEGFR
SCHEMBL7315053 0.89 MAPT (0.62) PPARGKDM5ACYP1B1ABCB1MAPT
SCHEMBL7306588 0.88 PPARG (0.57) PPARGABL1CYP1B1MAPTEGFR
SCHEMBL7313546 0.88 PPARG (0.57) PPARGABL1CYP1B1MAPTEGFR
SCHEMBL7316873 0.87 CYP1B1 (0.57) PPARGABL1CYP1B1MAPTEGFR
SCHEMBL7311118 0.87 CYP1B1 (0.57) PPARGCYP1B1MAPT
SCHEMBL7317205 0.86 NPSR1 (0.64) PPARGABL1KDM5ACYP1B1ABCB1
SCHEMBL7303645 0.85 CYP1B1 (0.57) PPARGCYP1B1MAPT
SCHEMBL7308871 0.84 CYP1B1 (0.56) PPARGCYP1B1MAPT
SCHEMBL7310036 0.83 CYP1B1 (0.55) PPARGCYP1B1MAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832886-B1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-11-13 EP disclosed
US-5889003-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed
EP-0832886-A1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-01 EP disclosed