SCHEMBL15040995

SCHEMBL15040995

COc1cc2c(cc1OI)C(C)(C)/C(=C\c1ccccc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.39
MAOB P27338 4/20 0.38
RET P07949 1/20 0.38
LCK P06239 1/20 0.37
APP P05067 1/20 0.37
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
ABCB1 P08183 1/20 0.36
MAOA P21397 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3044171 0.94 ACHE (0.42) ACHEMAOBRETAPPBCHE
SCHEMBL301682 0.94 ACHE (0.42) ACHEMAOBRETAPPBCHE
SCHEMBL303097 0.94 ACHE (0.42) ACHEMAOBRETAPPBCHE
SCHEMBL29365202 0.94 ACHE (0.42) ACHEMAOBRETAPPBCHE
SCHEMBL15040971 0.76 MAOB (0.38) MAOBMEN1ALDH1A1MAPTKMT2A
SCHEMBL15040993 0.76 MAOB (0.38) MAOBMEN1ALDH1A1MAPTKMT2A
SCHEMBL21098267 0.74 CA1 (0.41) ACHEMAOBLCKAPPMEN1
SCHEMBL12977425 0.73 MAPT (0.53) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL12977423 0.73 MAPT (0.53) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11871299 0.72 HPGD (0.44) MAOBMEN1ALDH1A1MAPTKMT2A

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
EP-2023910-B1 AH RECEPTOR ANTAGONISTS SYMRISE AG (DE) 2013-06-19 EP disclosed