SCHEMBL9063602

SCHEMBL9063602

CC(C)(C)[Si](C)(C)OC(CO)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
ACP3 P15309 1/20 0.35
SLC6A4 P31645 4/20 0.35
CYP2B6 P20813 1/20 0.35
IDO1 P14902 3/20 0.34
SLC6A2 P23975 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DHFR P00374 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TDO2 P48775 1/20 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
SCHEMBL7003007 0.88 AOC3 (0.43) AOC3SLC6A4IDO1SLC6A2DHFR
SCHEMBL7151078 0.87 AOC3 (0.46) AOC3SLC6A4IDO1DHFRTDO2
SCHEMBL7392343 0.87 AOC3 (0.46) AOC3SLC6A4IDO1DHFRTDO2
SCHEMBL6439346 0.84 CA2 (0.35)
SCHEMBL6439350 0.84 CA2 (0.35)
SCHEMBL15229070 0.83 SLC6A2 (0.38) SLC6A4SLC6A2
SCHEMBL14984000 0.83 GSR (0.44) AOC3SLC6A4SLC6A2
SCHEMBL1739510 0.83 GSR (0.44) AOC3SLC6A4SLC6A2
SCHEMBL8405099 0.83 GSR (0.44) AOC3SLC6A4SLC6A2
SCHEMBL23192881 0.80 DHFR (0.44) AOC3ACP3SLC6A4SLC6A2DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820009-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2015-01-07 EP disclosed
WO-2013130976-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-09-06 WO disclosed
US-5491134-A TREATING DIABETES, OBESITY, ACHALASIA, GASTORINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-13 US disclosed
US-5321036-A Treatment of diabetes, obesity and gastrointestinal disorders BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-14 US disclosed