SCHEMBL30745501

SCHEMBL30745501

COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1CN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ HIF1AN Q9NWT6 4/20 0.48
▸ POLB P06746 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
SCHEMBL30745472 0.91 MAPT (0.60) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL30745459 0.90 MAPT (0.59) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL30745498 0.90 MAOB (0.53) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL30745496 0.89 MAOB (0.53) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL30745454 0.89 MAPT (0.57) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL746093 0.85 ABCB1 (0.63) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL30745448 0.82 SMN1; SMN2 (0.66) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL30745408 0.81 MAPT (0.54) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL7030422 0.81 ABCB1 (0.55) MAPTSMN1; SMN2KDM4EMAPK1HTT
SCHEMBL30745453 0.80 MAPT (0.53) MAPTSMN1; SMN2KDM4EMAPK1HTT

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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