SCHEMBL29883103

SCHEMBL29883103

COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 7/20 1.00
CYP1A1 P04798 6/20 0.86
CYP1A2 P05177 6/20 0.86
MEN1 O00255 5/20 0.86
KMT2A Q03164 5/20 0.86
IP6K2 Q9UHH9 5/20 0.86
ALDH1A1 P00352 4/20 0.86
MAPT P10636 4/20 0.86
HDAC6 Q9UBN7 4/20 0.86
ABCC1 P33527 3/20 0.86
XDH P47989 3/20 0.86
IPMK Q8NFU5 3/20 0.86
POLB P06746 2/20 0.86
KDM1A O60341 1/20 0.86
MAOA P21397 4/20 0.77
AKR1B1 P15121 3/20 0.77
MAPK8 P45983 1/20 0.77
TP53 P04637 4/20 0.73
MAOB P27338 4/20 0.73
FLT3 P36888 4/20 0.73

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
SCHEMBL30365934 1.00 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1KMT2A
SCHEMBL2483636 1.00 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1KMT2A
SCHEMBL29845342 0.92 CYP1B1 (0.86) CYP1B1CYP1A1CYP1A2MEN1KMT2A
Diosmetin SCHEMBL29363916 0.92 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1KMT2A
Diosmetin SCHEMBL29453246 0.92 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1KMT2A
Diosmetin SCHEMBL30541886 0.92 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1KMT2A
SCHEMBL1421382 0.92 CYP1B1 (0.86) CYP1B1CYP1A1CYP1A2MEN1KMT2A
Diosmetin SCHEMBL289337 0.92 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1KMT2A
Chrysoeriol SCHEMBL293757 0.92 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1KMT2A
Chrysoeriol SCHEMBL30331803 0.92 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500385-B Method for preparing diosmetin derivative ultrafine particles 中国药科大学 2022-10-04 CN disclosed