SCHEMBL12631267

SCHEMBL12631267

CC(=O)C(C)CCCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.36
REN P00797 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 2/20 0.32
LNPEP Q9UIQ6 2/20 0.32
PKM P14618 1/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
BLM P54132 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL13235909 0.79 METAP1 (0.43) HPGDCYP1A2
SCHEMBL1678163 0.78
SCHEMBL12153331 0.77 CA1 (0.48) CA1BLMCYP1A2
SCHEMBL11757116 0.76 ACE2 (0.47) MAPTTP53PKMKDM5AKDM7A
SCHEMBL23971035 0.76 MAPT (0.43) MAPTTP53MEN1KMT2A
SCHEMBL16882419 0.75 CA1 (0.32) CA1BLM
SCHEMBL18050478 0.75 CYP1A2 (0.45) MAPTKDM5AKDM4CPHF8KDM2A
SCHEMBL6156004 0.75 CYP1A2 (0.45) MAPTKDM5AKDM4CPHF8KDM2A
SCHEMBL12153332 0.74 CA1 (0.46) CA1BLM
SCHEMBL1678164 0.73

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-2011066241-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2011-06-03 WO disclosed