SCHEMBL9776758

SCHEMBL9776758

CC(C[Si](C)(Cl)Cl)c1cccc(O[Si](C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CASR P41180 5/20 0.33
PTGS1 P23219 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL10397110 0.91 KDM4E (0.36) AOC3KDM4ETSHRCASRPTGS1
SCHEMBL9776751 0.78
SCHEMBL14252175 0.78 KDM4E (0.46) KDM4ETSHRCASRPTGS1
SCHEMBL9776761 0.78 CYSLTR2 (0.33) KDM4ETSHRCASRPTGS1
SCHEMBL21286790 0.75 CYSLTR2 (0.40) TSHRPTGS1
SCHEMBL1599405 0.74 TAAR1 (0.50) AOC3TAAR1
SCHEMBL4923762 0.73 PNMT (0.34)
SCHEMBL3901324 0.71 LMNA (0.38) TSHRTAAR1
SCHEMBL10396552 0.71 CYP3A4 (0.46) PTGS1
SCHEMBL31546139 0.70 GRM2 (0.33) HTR1ATAAR1

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-4997899-A Organosilicon or germanium polymers NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-03-05 US claimed