SCHEMBL13626475

SCHEMBL13626475

CC(C)(C)Nc1cccc(CCO)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
APP P05067 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NR3C2 P08235 1/20 0.36
KCNH2 Q12809 2/20 0.35
PDE10A Q9Y233 1/20 0.34
ATM Q13315 1/20 0.33
SLC29A1 Q99808 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PTGER2 P43116 1/20 0.32
NCF1 P14598 1/20 0.32
MAPK8 P45983 1/20 0.31
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31

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
SCHEMBL20436545 0.85 HSD11B1 (0.40) HSD11B1APPNPSR1ATMPTGER2
SCHEMBL852472 0.81 APP (0.53) HSD11B1APPNPSR1NR3C2KCNH2
SCHEMBL12883344 0.79 CHRNB2 (0.41) HSD11B1KCNH2ATMNCF1
SCHEMBL7040754 0.79 KCNH2 (0.46) HSD11B1APPNPSR1NR3C2KCNH2
SCHEMBL18160808 0.78 NCF1 (0.36) APPNPSR1NR3C2KCNH2PDE10A
SCHEMBL26441388 0.76 NPSR1 (0.38) APPNPSR1ATMNCF1IDH1
SCHEMBL4273309 0.76 KCNH2 (0.52) HSD11B1NPSR1KCNH2
SCHEMBL6320838 0.76 NR3C2 (0.43) HSD11B1NR3C2MAPK8
SCHEMBL6697790 0.75 CCNT1 (0.42) HSD11B1APPNR3C2PTGER2
SCHEMBL24848013 0.74 HCRTR1 (0.39) HSD11B1NPSR1KCNH2HCRTR1HCRTR2

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
WO-2009142967-A1 THERAPEUTIC PROSTAGLANDIN COMPOUNDS USED AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2009-11-26 WO disclosed