SCHEMBL30745486

SCHEMBL30745486

COc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(O)c1CN1CCNCC1CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40
▸ TUBA1A Q71U36 2/20 0.40
▸ TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL30745471 0.92 MAPT (0.46) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745441 0.92 MAOB (0.45) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745435 0.92 MAOB (0.46) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745480 0.90 MEN1 (0.44) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745451 0.88 MAOB (0.48) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745456 0.88 MAPT (0.43) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745455 0.84 ACHE (0.51) MEN1LMNAKMT2ACTSLACHE
SCHEMBL30745489 0.84 MAOB (0.47) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745444 0.83 MAOB (0.46) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745473 0.82 CTSL (0.53) MAOBMAPTMEN1LMNAKMT2A

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
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