SCHEMBL445916

SCHEMBL445916

CCCCCCC/C(N=C=O)=C(/C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
THRB P10828 1/20 0.53
PGGT1B P53609 1/20 0.53
HAO1 Q9UJM8 1/20 0.44
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL448241 1.00 FNTA (0.53) FNTAFNTBTHRBPGGT1BHAO1
SCHEMBL9509474 1.00 FNTA (0.53) FNTAFNTBTHRBPGGT1BHAO1
SCHEMBL448593 0.98 FNTA (0.50) FNTAFNTBTHRBPGGT1BHAO1
SCHEMBL451024 0.93 FNTA (0.43) FNTAFNTBTHRBPGGT1BHAO1
SCHEMBL449846 0.85 FNTA (0.37) FNTAFNTBTHRBPGGT1BTSHR
SCHEMBL28176805 0.83 CES2 (0.39) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL9326072 0.78 KDM1A (0.36) PTPN1
SCHEMBL15426 0.77 FFAR3 (0.32) FNTAFNTBTHRBPGGT1BALDH1A1
Acetone SCHEMBL5519061 0.76 FFAR3 (0.31) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL6161879 0.74 CES2 (0.50) GPR84PPARGPPARDPPARAHDAC11

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 7 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