SCHEMBL445917

SCHEMBL445917

C=C(CCCCCCCCN=C=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
TET2 Q6N021 3/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 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
SCHEMBL445702 1.00 TBXAS1 (0.38) TBXAS1TET2TET3TET1GRIK1
SCHEMBL448594 1.00 TBXAS1 (0.38) TBXAS1TET2TET3TET1GRIK1
SCHEMBL2358462 1.00 TBXAS1 (0.38) TBXAS1TET2TET3TET1GRIK1
SCHEMBL448242 1.00 TBXAS1 (0.38) TBXAS1TET2TET3TET1GRIK1
SCHEMBL33514 0.98 TBXAS1 (0.36) TBXAS1TET2TET3TET1GRIK1
SCHEMBL15427 0.92 TET2 (0.39) TBXAS1TET2TET3TET1GRIK1
Acetone SCHEMBL5519066 0.87 TET2 (0.35) TBXAS1TET2TET3TET1GRIK1
SCHEMBL5685778 0.85 CAMK2A (0.35) TBXAS1TET2TET3TET1GRIK1
SCHEMBL890544 0.84 TET2 (0.33) TET2TET3TET1GRIK1GRIK2
SCHEMBL346413 0.84 TET2 (0.37) TET2TET3TET1GRIK1GRIK2

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