SCHEMBL6506706

SCHEMBL6506706

COc1ccc(COCCCCCCOCc2ccc(C[Si](C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
IDO1 P14902 3/20 0.44
AGXT P21549 2/20 0.44
GBA1 P04062 1/20 0.44
UGCG Q16739 1/20 0.44
GBA2 Q9HCG7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
APP P05067 7/20 0.41
CALM1 P0DP23 1/20 0.41
CHRM2 P08172 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6508803 0.83 ESR1 (0.46) L3MBTL1TDP1AGXTGBA1UGCG
SCHEMBL5574984 0.82 IDO1 (0.54) IDO1AGXTESR1CA1CA2
SCHEMBL6507918 0.82 ESR1 (0.48) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL16614396 0.81 L3MBTL1 (0.67) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL6496291 0.80 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL9021156 0.80 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL1355360 0.80 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL16727734 0.80 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL6551488 0.80 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL9021153 0.80 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123670-A2 CRYSTALLINE FORM OF A SUBSTITUTED PYRROLIDINE COMPOUND THERAVANCE, INC. (US) 2005-12-29 WO disclosed
WO-2005100329-A1 NOVEL PROTECTING REAGENTS, PROTECTING GROUPS AND METHODS OF FORMING AND USING THE SAME THE UNIVERSITY OF MISSISSIPI (US) 2005-10-27 WO disclosed