SCHEMBL28165161

SCHEMBL28165161

CCO[Si](CCCCCN)(OCC)OC(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.38
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37
TAAR1 Q96RJ0 3/20 0.34
BRD4 O60885 1/20 0.33
KIF11 P52732 1/20 0.33
SLC6A2 P23975 1/20 0.32
NUDT1 P36639 1/20 0.32
MAOA P21397 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
SCHEMBL28165509 1.00 SLC7A5 (0.38) SLC7A5HTR2AHRH1TAAR1BRD4
SCHEMBL6293744 0.94 HRH1 (0.39) SLC7A5HTR2AHRH1TAAR1BRD4
SCHEMBL29189117 0.89 CYP19A1 (0.38) HTR2A
SCHEMBL28165516 0.88 TAAR1 (0.38) SLC7A5HTR2AHRH1TAAR1SLC6A2
SCHEMBL27889090 0.82 ADORA3 (0.35) TAAR1NUDT1
SCHEMBL29163118 0.82 TAAR1 (0.40) HTR2AHRH1TAAR1SLC6A2NUDT1
SCHEMBL27875677 0.80 HRH1 (0.39) SLC7A5HTR2AHRH1TAAR1BRD4
SCHEMBL29043996 0.79 ADRA2A (0.35) TAAR1NUDT1
SCHEMBL614550 0.76 TAAR1 (0.39) TAAR1SLC6A2MAOA
Benzene SCHEMBL27925659 0.76

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
CN-105324407-B Active energy ray-curable composition 株式会社钟化 2017-07-28 CN disclosed