SCHEMBL451988

SCHEMBL451988

C=C(C(=O)O)C(CCCCCC)N=C=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
GPR84 Q9NQS5 8/20 0.41
FFAR1 O14842 2/20 0.41
PPARD Q03181 2/20 0.40
LCK P06239 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA2 P00918 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL445703 0.93 CA2 (0.36) MAPTGPR84FFAR1PPARDLCK
SCHEMBL451419 0.86 CHRM1 (0.34)
SCHEMBL11856369 0.83 MAPT (0.53) MAPTGPR84FFAR1PPARDLCK
SCHEMBL5575605 0.83 MAPT (0.53) MAPTGPR84FFAR1PPARDLCK
SCHEMBL9326075 0.82 BLM (0.37)
SCHEMBL449265 0.79
SCHEMBL5420724 0.78 MAPT (0.43) MAPTGPR84FFAR1PPARDLCK
SCHEMBL17077038 0.77 MAPT (0.42) MAPTGPR84FFAR1PPARDLCK
SCHEMBL28779717 0.77 MAPT (0.42) MAPTGPR84FFAR1PPARDLCK
SCHEMBL11763599 0.76 CA1 (0.41) MAPTGPR84FFAR1PPARDLCK

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