SCHEMBL8429540

SCHEMBL8429540

CCCOc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)OCC)cc3o2)ccc1OC

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.59
CYP1B1 Q16678 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM5A P29375 1/20 0.55
PPARG P37231 1/20 0.54

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
SCHEMBL10472448 0.94 CYP1A2 (0.63) EGFRCYP1B1KDM4EALDH1A1CYP1A2
SCHEMBL4393314 0.94 CYP1B1 (0.67) EGFRCYP1B1KDM4EALDH1A1CYP1A2
SCHEMBL8427205 0.90 CYP1B1 (0.61) EGFRCYP1B1ALDH1A1CYP1A2POLB
SCHEMBL8429583 0.90 CYP1B1 (0.67) EGFRCYP1B1KDM4EALDH1A1CYP1A2
SCHEMBL10473384 0.89 CYP1B1 (0.72) CYP1B1KDM4EALDH1A1CYP1A2POLB
SCHEMBL8429585 0.89 CYP1B1 (0.56) EGFRCYP1B1KDM4EALDH1A1CYP1A2
SCHEMBL8431160 0.88 ALDH1A1 (0.56) EGFRCYP1B1KDM4EALDH1A1CYP1A2
SCHEMBL8427276 0.87 CYP1B1 (0.56) EGFRCYP1B1KDM4EALDH1A1CYP1A2
SCHEMBL8427187 0.87 KDM4E (0.74) EGFRCYP1B1KDM4EALDH1A1CYP1A2
SCHEMBL4397722 0.86 KDM4E (0.70) CYP1B1KDM4EALDH1A1CYP1A2POLB

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-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed
US-5792789-A TREATING HYPERPERMEABILITY AND INFLAMMATION ADIR ET COMPAGNIE (FR) 1998-08-11 US disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed