SCHEMBL448596

SCHEMBL448596

CCCCC(C=C(C)C(=O)O)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
CA1 P00915 1/20 0.31
FFAR1 O14842 1/20 0.31
EP300 Q09472 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
SCHEMBL448243 0.95 MAPT (0.40) MAPTLCKPPARDZDHHC20ZDHHC2
SCHEMBL445918 0.94 MAPT (0.42) MAPTLCKPPARDZDHHC20ZDHHC2
SCHEMBL451026 0.92 CHRM1 (0.32)
SCHEMBL3166697 0.84
SCHEMBL449847 0.84
SCHEMBL6472685 0.74 CA2 (0.42) CA2MAPK1MAPTLCKPPARD
SCHEMBL8060421 0.73 ACHE (0.49) CA2MAPK1MAPTLCKPPARD
SCHEMBL4946239 0.73 CA2 (0.41) CA2MAPK1MAPTLCKPPARD
SCHEMBL22500748 0.73 CA2 (0.41) CA2MAPK1MAPTLCKPPARD
SCHEMBL28279029 0.73 CA2 (0.41) CA2MAPK1MAPTLCKPPARD

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