SCHEMBL8708149

SCHEMBL8708149

CC(C)(C)[Si](C)(C)OC(c1ccccc1)C(C)(C)[Si](C)(C)OCC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TOP2A P11388 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR88 Q9GZN0 3/20 0.32
KLK7 P49862 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
IDO1 P14902 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
SCHEMBL8325294 0.82 OPRK1 (0.37) OPRK1MEN1KMT2AGAAL3MBTL1
SCHEMBL8705028 0.82 OPRK1 (0.42) OPRK1MEN1KMT2AGPR88KLK7
SCHEMBL7738582 0.74 CYP1A2 (0.35) MEN1KMT2ATOP2AGAA
SCHEMBL7739318 0.74 CYP1A2 (0.35) MEN1KMT2ATOP2AGAA
SCHEMBL7739287 0.74 CYP1A2 (0.35) MEN1KMT2ATOP2AGAA
SCHEMBL7739395 0.74 CYP1A2 (0.35) MEN1KMT2ATOP2AGAA
SCHEMBL7738017 0.74 CYP1A2 (0.35) MEN1KMT2ATOP2AGAA
SCHEMBL7739282 0.72 FKBP1A (0.34) TOP2AGAA
SCHEMBL5673208 0.69 FKBP1A (0.37) TOP2A
SCHEMBL10380887 0.68 SMYD2 (0.39) OPRK1KLK7

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-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed