SCHEMBL30856460

SCHEMBL30856460

COc1cc(O)c2c(=O)cc(C3=CC(C)(O)C(C)(O)C=C3)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K2 Q9UHH9 3/20 0.58
▸ FLT3 P36888 3/20 0.58
▸ MAOB P27338 2/20 0.58
▸ MKNK2 Q9HBH9 1/20 0.58
▸ CYP19A1 P11511 1/20 0.58
▸ MAPT P10636 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ ABCB1 P08183 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ PLG P00747 1/20 0.56
▸ PTGS1 P23219 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ CYP1B1 Q16678 4/20 0.53
▸ CYP1A1 P04798 3/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ MEN1 O00255 3/20 0.53

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
Genkwanin SCHEMBL29445006 0.74 FLT3 (1.00) IP6K2FLT3MAOBMKNK2CYP19A1
Apigenin Dimethylether SCHEMBL29392759 0.74 MAOB (1.00) IP6K2FLT3MAOBMKNK2CYP19A1
Genkwanin SCHEMBL866123 0.74 FLT3 (1.00) IP6K2FLT3MAOBMKNK2CYP19A1
Apigenin Dimethylether SCHEMBL1176691 0.74 MAOB (1.00) IP6K2FLT3MAOBMKNK2CYP19A1
SCHEMBL2874820 0.74 MAPT (0.74) IP6K2FLT3MAOBMKNK2CYP19A1
Techtochrysin SCHEMBL29494561 0.73 MAPT (1.00) IP6K2FLT3MAOBMKNK2CYP19A1
Techtochrysin SCHEMBL249043 0.73 MAPT (1.00) IP6K2FLT3MAOBMKNK2CYP19A1
SCHEMBL4203893 0.72 PLG (1.00) IP6K2FLT3MAOBMKNK2CYP19A1
SCHEMBL16150088 0.72 MAOA (0.85) IP6K2FLT3MAOBMKNK2CYP19A1
Artocarpetin SCHEMBL676337 0.72 IP6K2 (0.76) IP6K2FLT3MAOBMKNK2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117731774-A Application of 3',4', 7-O-trimethyl luteolin in preparation of photodynamic therapy photosensitizer 常州大学 2024-03-22 — — CN claimed
CN-117731774-A Application of 3',4', 7-O-trimethyl luteolin in preparation of photodynamic therapy photosensitizer 常州大学 2024-03-22 — — CN disclosed
CN-117731774-A Application of 3',4', 7-O-trimethyl luteolin in preparation of photodynamic therapy photosensitizer 常州大学 2024-03-22 — — CN disclosed
CN-117731774-A Application of 3',4', 7-O-trimethyl luteolin in preparation of photodynamic therapy photosensitizer 常州大学 2024-03-22 — — CN disclosed
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