SCHEMBL30745458

SCHEMBL30745458

CCN(CC)Cc1cc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.57
MAOB P27338 2/20 0.57
ABCG2 Q9UNQ0 3/20 0.57
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
CXCL12 P48061 3/20 0.51
CXCR4 P61073 1/20 0.51

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
SCHEMBL30745470 0.90 AR (0.58) ARMAOBABCG2ACHEBACE1
SCHEMBL30745488 0.89 ACHE (0.65) MAOBACHEBACE1CXCL12
SCHEMBL30745476 0.88 MAOB (0.61) MAOB
SCHEMBL25228491 0.84 AR (0.70) ARMAOBABCG2ACHEBACE1
SCHEMBL30745478 0.83 MAOB (0.56) ARMAOBABCG2CXCL12
SCHEMBL30745510 0.81 ABCG2 (0.53) ARMAOBABCG2ACHEBACE1
SCHEMBL30745495 0.80 ACHE (0.54) MAOBABCG2ACHEBACE1CXCL12
SCHEMBL30745511 0.79 SMN1; SMN2 (0.53) ARMAOBABCG2ACHEBACE1
SCHEMBL30745497 0.79 MAOB (0.61) MAOBACHEBACE1
SCHEMBL30745430 0.79 ACHE (0.67) ABCG2ACHEBACE1CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567303-A Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof 安徽中医药大学 2024-02-20 CN claimed
CN-117567303-A Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof 安徽中医药大学 2024-02-20 CN disclosed