SCHEMBL7310271

SCHEMBL7310271

CCCCCOc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)N(C)C)cc3o2)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.57
CYP1B1 Q16678 1/20 0.56

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
SCHEMBL7317399 0.89 EGFR (0.52) EGFR
SCHEMBL7311286 0.89 CYP1B1 (0.56) CYP1B1
SCHEMBL7318625 0.86 CYP1B1 (0.56) EGFRCYP1B1
SCHEMBL7309697 0.86 CYP1B1 (0.58) EGFRCYP1B1
SCHEMBL8427205 0.85 CYP1B1 (0.61) EGFRCYP1B1
SCHEMBL8429540 0.84 EGFR (0.59) EGFRCYP1B1
SCHEMBL7310036 0.83 CYP1B1 (0.55) EGFRCYP1B1
SCHEMBL10472448 0.82 CYP1A2 (0.63) EGFRCYP1B1
SCHEMBL8356014 0.82 CYP1B1 (0.53) CYP1B1
SCHEMBL4393314 0.81 CYP1B1 (0.67) EGFRCYP1B1

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