SCHEMBL7760758

SCHEMBL7760758

COc1c(O)cc2occ(-c3cccc(O)c3)c(=O)c2c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.76
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 4/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 4/20 0.56
ABCB1 P08183 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAOA P21397 3/20 0.52
NPC1 O15118 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
NFKB1 P19838 2/20 0.52
CYP2C19 P33261 2/20 0.52
RAB9A P51151 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
CYP1A2 P05177 1/20 0.52
ALDH2 P05091 1/20 0.52

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
Tectorigenin SCHEMBL29353966 0.86 EGFR (1.00) EGFRALDH1A1CYP3A4MAPTHPGD
Tectorigenin SCHEMBL351641 0.86 EGFR (1.00) EGFRALDH1A1CYP3A4MAPTHPGD
Irilin D SCHEMBL571722 0.85 EGFR (0.80) EGFRALDH1A1CYP3A4MAPTHPGD
SCHEMBL12777134 0.85 EGFR (0.74) EGFRALDH1A1CYP3A4MAPTHPGD
SCHEMBL29145266 0.84 EGFR (0.70) EGFRALDH1A1CYP3A4MAPTHPGD
SCHEMBL12777120 0.83 EGFR (0.76) EGFRALDH1A1CYP3A4MAPTHPGD
SCHEMBL29887713 0.83 EGFR (0.76) EGFRALDH1A1CYP3A4MAPTHPGD
Iristectorigenin A SCHEMBL6337637 0.83 EGFR (0.76) EGFRALDH1A1CYP3A4MAPTHPGD
SCHEMBL30708523 0.83 EGFR (0.76) EGFRALDH1A1CYP3A4MAPTHPGD
SCHEMBL14513481 0.83 EGFR (0.76) EGFRALDH1A1CYP3A4MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1096929-A1 THERAPEUTIC COMPOSITION BASED ON FLAVONOIDS FOR USE IN THE TREATMENT OF TUMOURS WITH CYTOTOXIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-09 EP disclosed
WO-2000003707-A1 THERAPEUTIC COMPOSITION BASED ON FLAVONOIDS FOR USE IN THE TREATMENT OF TUMOURS WITH CYTOTOXIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed