SCHEMBL11746472

SCHEMBL11746472

CC(O)(COc1ccc(-c2ccc(I)cc2)cc1)CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44
PSMB2 P49721 2/20 0.44
KDM1A O60341 1/20 0.42
HRH3 Q9Y5N1 11/20 0.42
LTA4H P09960 1/20 0.40
ACHE P22303 1/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOB P27338 2/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL11740322 0.99 PSMB1 (0.46) PSMB1PSMB5PSMB2KDM1AHRH3
SCHEMBL11744044 0.99 PSMB1 (0.46) PSMB1PSMB5PSMB2KDM1AHRH3
SCHEMBL11740780 0.88 NPC1 (0.43) KDM1AHRH3KDM4EHRH1KCNH2
SCHEMBL11741062 0.86 LTA4H (0.46) PSMB1PSMB5PSMB2KDM1AHRH3
SCHEMBL11741581 0.86 LTA4H (0.46) PSMB1PSMB5PSMB2KDM1AHRH3
SCHEMBL11740052 0.86 LTA4H (0.46) PSMB1PSMB5PSMB2KDM1AHRH3
SCHEMBL11745312 0.86 HRH3 (0.47) KDM1AHRH3ACHEHRH1
SCHEMBL11740923 0.85 ATM (0.48) PSMB1PSMB5PSMB2KDM1AHRH3
SCHEMBL11741226 0.85 HRH3 (0.47) PSMB1PSMB5PSMB2KDM1AHRH3
SCHEMBL11744861 0.85 HRH3 (0.47) PSMB1PSMB5PSMB2KDM1AHRH3

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