SCHEMBL30413652

SCHEMBL30413652

COc1ccc2c(c1)CC(=Cc1cccc(C)c1)C2=O

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.76
MAOA P21397 4/20 0.71
CYP19A1 P11511 2/20 0.65
MIF P14174 4/20 0.60
ACHE P22303 6/20 0.58
BCHE P06276 1/20 0.58
BACE1 P56817 2/20 0.58
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CES2 O00748 1/20 0.56

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
SCHEMBL28927342 1.00 MAOB (0.76) MAOBMAOACYP19A1MIFACHE
SCHEMBL28962157 0.87 MAOB (0.76) MAOBMAOACYP19A1MIFACHE
SCHEMBL30413102 0.87 MAOB (0.76) MAOBMAOACYP19A1MIFACHE
SCHEMBL14524721 0.87 MAOB (1.00) MAOBMAOACYP19A1MIFACHE
SCHEMBL5582417 0.87 MAOB (1.00) MAOBMAOACYP19A1MIFACHE
SCHEMBL5582418 0.87 MAOB (1.00) MAOBMAOACYP19A1MIFACHE
SCHEMBL30413515 0.86 MAOB (0.74) MAOBMAOACYP19A1MIFACHE
SCHEMBL28927486 0.86 MAOB (0.74) MAOBMAOACYP19A1MIFACHE
SCHEMBL30412163 0.85 MAOB (0.78) MAOBMAOACYP19A1MIFACHE
SCHEMBL28927347 0.85 MAOB (0.78) MAOBMAOACYP19A1MIFACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417871-B Double spiro pyrrolospirone oxindole compound, synthesis method and antifungal activity thereof 成都理工大学 2023-06-02 CN disclosed