SCHEMBL11740923

SCHEMBL11740923

CC(O)(COc1ccc(-c2ccc(Br)cc2)cc1)CN1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PSMB1 P20618 2/20 0.46
PSMB5 P28074 2/20 0.46
PSMB2 P49721 2/20 0.46
LTA4H P09960 1/20 0.45
PTGS2 P35354 1/20 0.45
HRH3 Q9Y5N1 8/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.42
MCHR1 Q99705 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL11743959 1.00 ATM (0.48) ATML3MBTL1PSMB1PSMB5PSMB2
SCHEMBL11741062 0.99 LTA4H (0.46) ATML3MBTL1PSMB1PSMB5PSMB2
SCHEMBL11738901 0.87 TSHR (0.49) HRH3KDM1AHRH1
SCHEMBL11744044 0.87 PSMB1 (0.46) PSMB1PSMB5PSMB2HRH3KDM1A
SCHEMBL11741488 0.87 HRH3 (0.47) PSMB1PSMB5PSMB2LTA4HPTGS2
SCHEMBL11741226 0.87 HRH3 (0.47) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL11740322 0.87 PSMB1 (0.46) PSMB1PSMB5PSMB2HRH3KDM1A
SCHEMBL11744618 0.87 HRH3 (0.47) PSMB1PSMB5PSMB2LTA4HPTGS2
SCHEMBL11744861 0.87 HRH3 (0.47) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL11743580 0.86 HRH3 (0.52) L3MBTL1PSMB1PSMB5PSMB2LTA4H

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