SCHEMBL449846

SCHEMBL449846

CCC/C(N=C=O)=C(/C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
THRB P10828 1/20 0.37
PGGT1B P53609 1/20 0.37
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL451024 0.89 FNTA (0.43) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL448593 0.87 FNTA (0.50) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL9509474 0.85 FNTA (0.53) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL448241 0.85 FNTA (0.53) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL445916 0.85 FNTA (0.53) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL987739 0.83 FFAR3 (0.32) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL15426 0.83 FFAR3 (0.32) FNTAFNTBTHRBPGGT1BFFAR3
Acetone SCHEMBL5519061 0.82 FFAR3 (0.31) FNTAFNTBTHRBPGGT1BFFAR3
Acetone SCHEMBL5519068 0.82 FFAR3 (0.31) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL30208232 0.77 CES2 (0.31) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2307190-A1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS Novartis AG (CH) 2011-04-13 EP disclosed
WO-2010011493-A1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS 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
EP-0444508-B1 Ethylenically unsaturated fluorine-containing urethan derivatives and process for their preparation HOECHST AG (DE) 1995-09-13 EP disclosed
EP-0444508-A2 Ethylenically unsaturated fluorine-containing urethan derivatives and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-04 EP disclosed
US-4587204-A PHOTORESISTS, POLYSILOXANE-POLYAMIDES GENERAL ELECTRIC COMPANY (US) 1986-05-06 US disclosed
US-4515887-A MODIFIED WITH ISOCYANATOALKYL ACRYLATE GENERAL ELECTRIC COMPANY (US) 1985-05-07 US disclosed