SCHEMBL30366152

SCHEMBL30366152

COc1cc(C2CC(=O)c3c(cc(O)c(OC)c3O)O2)cc2c1OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ TAS2R31 P59538 2/20 0.57
▸ PTGS2 P35354 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ CYP1A1 P04798 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP1B1 Q16678 1/20 0.49
▸ PTPN1 P18031 4/20 0.48
▸ ELANE P08246 2/20 0.48
▸ ALOX5 P09917 2/20 0.48
▸ ACHE P22303 1/20 0.48
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47

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
SCHEMBL4218782 1.00 NPC1 (0.64) NPC1RAB9ATAS2R31PTGS2POLB
SCHEMBL905614 0.82 NPC1 (0.73) NPC1RAB9ATAS2R31PTGS2POLB
Dihydrooroxylin A SCHEMBL31682921 0.78 NPC1 (1.00) NPC1RAB9ATAS2R31POLBABCB1
SCHEMBL27775449 0.78 NPC1 (0.82) NPC1RAB9ATAS2R31POLBABCG2
Dihydrooroxylin A SCHEMBL12067042 0.78 NPC1 (1.00) NPC1RAB9ATAS2R31POLBABCB1
SCHEMBL30716844 0.77 NPC1 (0.77) NPC1RAB9ATAS2R31PTGS2POLB
SCHEMBL4218778 0.76 ACHE (0.45) NPC1RAB9APOLBACHEKDM4E
SCHEMBL5551104 0.74 NPC1 (0.69) NPC1RAB9ATAS2R31PTGS2POLB
SCHEMBL5084370 0.74 CYP1A1 (0.77) NPC1RAB9ATAS2R31PTGS2POLB
SCHEMBL382207 0.73 TAS2R31 (0.79) NPC1RAB9ATAS2R31PTGS2POLB

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
US-20240392220-A1 BRANDY REPLICAS AVA FOOD LABS, INC. 2024-11-28 — — US disclosed
EP-4408967-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2024-08-07 — — EP disclosed
CN-118339274-A Brandy replica 艾娃食品实验室股份有限公司 2024-07-12 — — CN disclosed
WO-2023055801-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2023-04-06 — — WO disclosed
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