SCHEMBL6434068

SCHEMBL6434068

C#Cc1ccc([Si](C)(OC)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.39
KEAP1 Q14145 1/20 0.36
MPO P05164 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 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
SCHEMBL6432617 0.82 APP (0.39)
SCHEMBL397346 0.81 CA12 (0.30) CA12CA1CA2CA9CA14
SCHEMBL6322050 0.80 HDAC8 (0.41) HDAC8KEAP1MPOCA12CA1
SCHEMBL15068354 0.80 HDAC8 (0.41) HDAC8KEAP1MPOCA12CA1
SCHEMBL16167842 0.77 HDAC8 (0.46) HDAC8KEAP1CA12CA1CA2
SCHEMBL1099488 0.77 HDAC8 (0.46) HDAC8KEAP1MPOCA12CA1
SCHEMBL15469252 0.76 HDAC8 (0.34) HDAC8KEAP1MPO
SCHEMBL15471178 0.75 HDAC8 (0.33) HDAC8KEAP1MPO
SCHEMBL5421236 0.74
SCHEMBL6436993 0.74 ESR2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276807-B1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS DOW CORNING (US) 2005-10-12 EP disclosed
US-6780471-B2 USING CROSSLINKER WITH NONFLEXIBLE LINKAGE INCLUDING AT LEAST ONE P-ARYLENE MOIETY FOR SPATIAL SEPARATION; FLEXURAL STRENGTH, FRACTURE TOUGHNESS, MODULUS AND/OR MECHANICAL DAMPING DOW CORNING CORPORATION 2004-08-24 US disclosed
US-20030130389-A1 Curable silicone resin composition and reactive silicon compounds DOW CORNING LIMITED (GB) 2003-07-10 US disclosed
EP-1276807-A1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS Dow Corning Corporation (US) 2003-01-22 EP disclosed
WO-2001083608-A1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS DOW CORNING CORPORATION (US) 2001-11-08 WO disclosed