SCHEMBL28200062

SCHEMBL28200062

CCCCCO[Si](OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
CES2 O00748 2/20 0.37
EPHX1 P07099 1/20 0.35
TSHR P16473 3/20 0.35
THRB P10828 2/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
MAPT P10636 1/20 0.34
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33

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
SCHEMBL17965931 0.92 NAAA (0.42) NAAACES2EPHX1TSHRTHRB
SCHEMBL3814404 0.89 TSHR (0.47) NAAACES2EPHX1TSHRTHRB
SCHEMBL23365060 0.89 TSHR (0.47) NAAACES2EPHX1TSHRTHRB
SCHEMBL23365026 0.89 TSHR (0.47) NAAACES2EPHX1TSHRTHRB
SCHEMBL339180 0.83 ADRB2 (0.45) NAAACES2TSHRTHRBCA1
Hydrochloric Acid SCHEMBL9709358 0.80 ADRB2 (0.43) NAAACES2TSHRTHRBCA1
SCHEMBL21812049 0.78 ADRB2 (0.41) NAAACES2TSHRTHRBCA1
SCHEMBL8837209 0.73 CA1 (0.39) NAAACES2EPHX1TSHRTHRB
Hydrochloric Acid SCHEMBL9709309 0.73
SCHEMBL17385975 0.72

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-107709464-A Containing silicone resin composition 东京应化工业株式会社 2018-02-16 CN disclosed