SCHEMBL9683539

SCHEMBL9683539

COc1ccc([C@@H](O)C(=O)OCC[Si](C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.41
AOC3 Q16853 2/20 0.40
ALOX15 P16050 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRM4 Q14833 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LDHA P00338 1/20 0.38

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
SCHEMBL9683532 1.00 GLS (0.41) GLSAOC3ALOX15GRM8GRM6
SCHEMBL9681761 0.84 ALDH1A1 (0.38) L3MBTL1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9683501 0.79 MTNR1A (0.38) L3MBTL1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11106829 0.79 ALOX15 (0.54) AOC3ALOX15CA1CA2
SCHEMBL1533373 0.77 RAB9A (0.50) GLSAOC3CA1CA2NPC1
SCHEMBL1566713 0.77 RAB9A (0.50) GLSAOC3CA1CA2NPC1
SCHEMBL8475304 0.77 CES2 (0.47) GLSAOC3ALOX15GRM8GRM6
SCHEMBL1394923 0.76 PTGS2 (0.63) L3MBTL1
SCHEMBL1394924 0.76 PTGS2 (0.63) L3MBTL1
SCHEMBL11837803 0.75 ALOX15 (0.50) ALOX15GRM6L3MBTL1NPC1ALDH1A1

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-5087631-A Vasodilators for treating cardiovascular disorders GLAXO INC. (US) 1992-02-11 US disclosed