SCHEMBL30745478

SCHEMBL30745478

CCN(CC)Cc1c(OC)ccc(C(=O)/C=C/c2ccc(Cl)cc2)c1O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
ABCG2 Q9UNQ0 3/20 0.54
AR P10275 2/20 0.49
ABCB1 P08183 1/20 0.48
CXCL12 P48061 2/20 0.48
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL30745464 0.89 CTSL (0.57) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30745438 0.89 MAOB (0.58) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30745509 0.88 MEN1 (0.56) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30745458 0.83 AR (0.57) MAOBABCG2ARCXCL12
SCHEMBL30745426 0.79 MAPT (0.59) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30745498 0.78 MAOB (0.53) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30745431 0.78 MAPT (0.51) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30745507 0.78 CTSL (0.59) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30745425 0.78 MEN1 (0.60) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30745496 0.77 MAOB (0.53) MAOBMEN1LMNAMAPTKMT2A

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