SCHEMBL5139867

SCHEMBL5139867

C[Si](C)(CCNC(=O)CCS)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.50
HDAC4 P56524 9/20 0.50
HDAC1 Q13547 9/20 0.50
HDAC7 Q8WUI4 9/20 0.50
HDAC2 Q92769 9/20 0.50
HDAC10 Q969S8 9/20 0.50
HDAC11 Q96DB2 9/20 0.50
HDAC8 Q9BY41 9/20 0.50
HDAC6 Q9UBN7 9/20 0.50
HDAC9 Q9UKV0 9/20 0.50
HDAC5 Q9UQL6 9/20 0.50
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL5097544 0.85 HPGD (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5090684 0.85 ALDH1A1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5134813 0.84 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5481183 0.78 MTNR1A (0.51) L3MBTL1MAPTCA9
SCHEMBL10977476 0.73 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6912201 0.72 MAPT (0.55) L3MBTL1MAPTHPGD
SCHEMBL4395151 0.72 CTSS (0.44) HDAC1MAPTCA1CA2CA9
SCHEMBL4395154 0.72 CTSS (0.44) HDAC1MAPTCA1CA2CA9
SCHEMBL5090836 0.71 LMNA (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5085616 0.71 HPGD (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-1968609-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND Pharmaceuticals, Inc. (US) 2008-09-17 EP disclosed
WO-2007073560-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND PHARMACEUTICALS, INC. (US) 2007-06-28 WO disclosed