SCHEMBL18234136

SCHEMBL18234136

CC[Si](CC)(CC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2C P28335 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
PNMT P11086 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3156790 0.84 TSHR (0.44) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL18234149 0.83 TLR8 (0.42) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL12879422 0.81 ACHE (0.50) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL23532430 0.80 TSHR (0.52) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL19802026 0.80 TSHR (0.44) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL15733740 0.80 IDO1 (0.41) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL7732408 0.80 L3MBTL1 (0.43) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL3157986 0.80 ALDH1A1 (0.44) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL23521414 0.80 IDO1 (0.45) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL15736900 0.80 LMNA (0.42) TSHRMAPK1HTR2AHTR2BHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160336621-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ADEKA CORPORATION (JP) 2016-11-17 US disclosed
US-20160336621-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ADEKA CORPORATION (JP) 2016-11-17 US disclosed