SCHEMBL7200859

SCHEMBL7200859

COc1ccc([C@H]2CC(=O)c3cc(O)cc(O)c3O2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP1B1 Q16678 1/20 0.67
CYP19A1 P11511 10/20 0.61
MAOB P27338 6/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TAS2R31 P59538 1/20 0.55
ABCG2 Q9UNQ0 2/20 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
SCHEMBL17318042 1.00 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL773767 0.89 CYP19A1 (0.66) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL349721 0.87 CYP19A1 (0.62) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL5084282 0.86 ABCG2 (0.68) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL6509053 0.85 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL2319144 0.85 CYP19A1 (0.68) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL1508800 0.84 CYP19A1 (0.64) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL2781916 0.82 MAPT (0.71) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL5084379 0.81 PTPN1 (0.51) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL27860085 0.81 CYP19A1 (0.51) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4617293-A Flavonoid phosphate salts of aminoglycoside antibiotics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1986-10-14 US claimed
EP-1286706-A2 GAMMA IRRADIATION OF PROTEIN-BASED PHARMACEUTICAL PRODUCTS The American National Red Cross (US) 2003-03-05 EP disclosed
WO-2001087357-A2 GAMMA IRRADIATION OF PROTEIN-BASED PHARMACEUTICAL PRODUCTS THE AMERICAN NATIONAL RED CROSS (US) 2001-11-22 WO disclosed
US-4617293-A Flavonoid phosphate salts of aminoglycoside antibiotics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0065123-B1 HARDLY SOLUBLE SALTS OF AMINOGLYCOSIDE ANTIBIOTICS MERCK PATENT GmbH (DE) 1984-07-25 EP disclosed
EP-0065123-A1 Hardly soluble salts of aminoglycoside antibiotics MERCK PATENT GmbH (DE) 1982-11-24 EP disclosed