SCHEMBL12349777

SCHEMBL12349777

CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCc1ccccc1)O[Si](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.42
KCNH2 Q12809 2/20 0.41
IDO1 P14902 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
HSD11B1 P28845 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13616969 0.94 CETP (0.38) CETPKCNH2IDO1SIGMAR1HSD11B1
SCHEMBL2584078 0.92 IDO1 (0.47) KCNH2IDO1SIGMAR1CHRM2HTR1A
SCHEMBL12349721 0.86 LTA4H (0.43) IDO1ADRA1ASLC6A3TDP1L3MBTL1
SCHEMBL12713565 0.81 KCNH2 (0.44) CETPKCNH2IDO1SIGMAR1HSD11B1
SCHEMBL12349748 0.81 LTA4H (0.39) CETPIDO1ADRA1ASLC6A3TDP1
SCHEMBL18389767 0.81 TDP1 (0.43) KCNH2IDO1HPGDTDP1
SCHEMBL17232216 0.79 SIGMAR1 (0.41) IDO1SIGMAR1L3MBTL1
SCHEMBL18979042 0.78 IDO1 (0.47) KCNH2IDO1SIGMAR1CHRM2HTR1A
SCHEMBL12349723 0.77 IDO1 (0.38) KCNH2IDO1SIGMAR1CHRM2HTR1A
SCHEMBL12349736 0.77 EBP (0.43) SIGMAR1HPGD

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-20110190467-A1 Biological Polysiloxanes VISION CRC LIMITED (AU) 2011-08-04 US disclosed