SCHEMBL30745453

SCHEMBL30745453

COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(O)c1CN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ABCB1 P08183 2/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ CAPN1 P07384 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ MAOA P21397 1/20 0.44

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
SCHEMBL30745496 0.91 MAOB (0.53) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745473 0.91 CTSL (0.53) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745408 0.91 MAPT (0.54) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745443 0.89 MAPT (0.52) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745472 0.89 MAPT (0.60) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745494 0.85 MAOB (0.48) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745489 0.83 MAOB (0.47) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745498 0.82 MAOB (0.53) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745465 0.82 CTSL (0.54) MAPTMAOBMEN1LMNAKMT2A
SCHEMBL30745506 0.81 SMN1; SMN2 (0.53) MAPTLMNASMN1; SMN2KDM4EMAPK1

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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