SCHEMBL448048

SCHEMBL448048

C=CC(=O)NC[Si](C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
TGM2 P21980 3/20 0.37
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21734442 0.84 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL5324563 0.79 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL5321292 0.79 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL3138226 0.76 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL1147756 0.76 ZDHHC20 (0.60) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL6067443 0.76 TSHR (0.43) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL6067393 0.76 TSHR (0.43) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21734385 0.73 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL31068562 0.73 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL6067405 0.73 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096025-B2 Silicone hydrogel lenses with convertible comfort agents NOVARTIS AG (CH) 2015-08-04 US disclosed
EP-2307190-B1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS NOVARTIS AG (CH) 2015-03-18 EP disclosed
US-8883928-B2 Silicone-containing polymeric materials with hydrolyzable groups NOVARTIS AG (CH) 2014-11-11 US disclosed
EP-2307189-B1 SILICONE HYDROGEL CONTACT LENSES WITH CONVERTIBLE COMFORT AGENTS NOVARTIS AG (CH) 2014-06-04 EP disclosed
US-20130127077-A1 SILICONE HYDROGEL LENSES WITH CONVERTIBLE COMFORT AGENTS NOVARTIS AG (CH) 2013-05-23 US disclosed
US-8357760-B2 Silicone hydrogel contact lenses with convertible comfort agents NOVARTIS AG (CH) 2013-01-22 US disclosed
US-20120065331-A1 SILICONE-CONTAINING POLYMERIC MATERIALS WITH HYDROLYZABLE GROUPS ALCON INC. (CH) 2012-03-15 US disclosed
US-8079703-B2 Silicone-containing polymeric materials with hydrolyzable groups NOVARTIS AG (CH) 2011-12-20 US disclosed
EP-2307189-A1 SILICONE HYDROGEL CONTACT LENSES WITH CONVERTIBLE COMFORT AGENTS Novartis AG (CH) 2011-04-13 EP disclosed
WO-2010011492-A1 SILICONE HYDROGEL CONTACT LENSES WITH CONVERTIBLE COMFORT AGENTS NOVARTIS AG (CH) 2010-01-28 WO disclosed
US-20100014047-A1 Silicone-Containing Polymeric Materials with Hydrolyzable Groups ALCON INC. (CH) 2010-01-21 US disclosed
US-20100016514-A1 Silicone Hydrogel Contact Lenses with Convertible Comfort Agents ALCON INC. (CH) 2010-01-21 US disclosed
US-6878789-B2 Preparation process of acrylic acid ester polymer KURARAY CO., LTD. (JP) 2005-04-12 US disclosed
EP-0945470-B1 Preparation process of acrylic acid ester polymer KURARAY CO (JP) 2004-10-13 EP disclosed
US-20020032290-A1 Preparation process of acrylic acid ester polymer KURARAY CO., LTD. (JP) 2002-03-14 US disclosed
US-6329480-B1 POLYMERIZING ACRYLIC ACID ESTER, ACRYLIC/METHACRYLIC MONOMER PRESENCE OF AN ORGANOLITHIUM COMPOUND AND AN ORGANOALUMINUM COMPOUND TO FORM BLOCK COPOLYMER KURARAY CO., LTD. (JP) 2001-12-11 US disclosed
EP-0945470-A1 Preparation process of acrylic acid ester polymer KURARAY CO., LTD. (JP) 1999-09-29 EP disclosed
US-4609749-A Method for the simultaneous preparation of carboxylic acid trimethylsilyl esters and silylated carboxylic acid amides DYNAMIT NOBEL AG (DE) 1986-09-02 US disclosed