Cirsiliol

Cirsiliol

SCHEMBL29928874

COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.86
CYP1B1 Q16678 3/20 0.86
FLT3 P36888 2/20 0.86
AURKA O14965 1/20 0.86
KDR P35968 1/20 0.86
AURKB Q96GD4 1/20 0.86
KDM4E B2RXH2 2/20 0.82
POLB P06746 2/20 0.82
MAPT P10636 2/20 0.82
MEN1 O00255 1/20 0.82
NPC1 O15118 1/20 0.82
AMY1A P0DUB6 1/20 0.82
GAA P10253 1/20 0.82
THRB P10828 1/20 0.82
APEX1 P27695 1/20 0.82
RECQL P46063 1/20 0.82
BLM P54132 1/20 0.82
CASP6 P55212 1/20 0.82
GFER P55789 1/20 0.82
KMT2A Q03164 1/20 0.82

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
Cirsiliol SCHEMBL1614677 1.00 CYP1A1 (0.86) CYP1A1CYP1B1FLT3AURKAKDR
Cirsileneol SCHEMBL2045672 0.93 HSD17B2 (0.86) CYP1A1CYP1B1FLT3AURKAKDR
Cirsileneol SCHEMBL29435128 0.93 HSD17B2 (0.86) CYP1A1CYP1B1FLT3AURKAKDR
Eupatorin SCHEMBL555597 0.93 CYP1A1 (1.00) CYP1A1CYP1B1FLT3AURKAKDR
Eupatorin SCHEMBL29386042 0.93 CYP1A1 (1.00) CYP1A1CYP1B1FLT3AURKAKDR
Eupatorin SCHEMBL30334912 0.93 CYP1A1 (1.00) CYP1A1CYP1B1FLT3AURKAKDR
SCHEMBL7127301 0.93 CYP1A1 (0.86) CYP1A1CYP1B1
SCHEMBL29435880 0.90 KDM4E (0.73) CYP1A1CYP1B1FLT3AURKAKDR
Eupafolin SCHEMBL29929325 0.90 MEN1 (1.00) CYP1A1CYP1B1FLT3AURKAKDR
Eupafolin SCHEMBL29532029 0.90 MEN1 (1.00) CYP1A1CYP1B1FLT3AURKAKDR

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
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO disclosed