SCHEMBL11740322

SCHEMBL11740322

CC(O)(COc1ccc(-c2ccc(I)cc2)cc1)CN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.46
PSMB5 P28074 2/20 0.46
PSMB2 P49721 2/20 0.46
HRH3 Q9Y5N1 13/20 0.44
ACHE P22303 1/20 0.42
KDM1A O60341 1/20 0.42
PDE1A P54750 3/20 0.41
PDE1B Q01064 3/20 0.41
PDE1C Q14123 3/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAOB P27338 3/20 0.40

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
SCHEMBL11744044 1.00 PSMB1 (0.46) PSMB1PSMB5PSMB2HRH3ACHE
SCHEMBL11746472 0.99 PSMB1 (0.44) PSMB1PSMB5PSMB2HRH3ACHE
SCHEMBL11740780 0.87 NPC1 (0.43) HRH3KDM1AHRH1KCNH2
SCHEMBL11741488 0.87 HRH3 (0.47) PSMB1PSMB5PSMB2HRH3
SCHEMBL11744618 0.87 HRH3 (0.47) PSMB1PSMB5PSMB2HRH3
SCHEMBL11743959 0.87 ATM (0.48) PSMB1PSMB5PSMB2HRH3KDM1A
SCHEMBL11741226 0.87 HRH3 (0.47) PSMB1PSMB5PSMB2HRH3KDM1A
SCHEMBL11744861 0.87 HRH3 (0.47) PSMB1PSMB5PSMB2HRH3KDM1A
SCHEMBL11740923 0.87 ATM (0.48) PSMB1PSMB5PSMB2HRH3KDM1A
SCHEMBL11743580 0.86 HRH3 (0.52) PSMB1PSMB5PSMB2HRH3KDM1A

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
US-4060609-A ANTICHOLESTEROL MERCH PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-29 US disclosed