SCHEMBL2596914

SCHEMBL2596914

CCO[Si](CCCNCCNCCP(=O)(O)O)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 13/20 0.46
S1PR1 P21453 13/20 0.46
S1PR3 Q99500 13/20 0.46
S1PR4 O95977 9/20 0.46
S1PR5 Q9H228 2/20 0.46
SAT1 P21673 1/20 0.36
LPAR2 Q9HBW0 5/20 0.33
LPAR3 Q9UBY5 3/20 0.33
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL2596887 0.98 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL11311739 0.84 CYP2C19 (0.31)
SCHEMBL1092293 0.84 CYP2C19 (0.36)
SCHEMBL7021919 0.82 LPAR3 (0.45) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL16638748 0.82 PPARD (0.43) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL57190 0.82 CYP2C19 (0.38)
SCHEMBL2596965 0.81 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL20875716 0.80 LPAR3 (0.48) S1PR2S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL28741000 0.80 CYP2C19 (0.36)
Methyl Alcohol SCHEMBL29226019 0.80 LPAR1 (0.45) LPAR2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593497-B1 SILICONE RESINS AND THEIR USE IN POLYMER COMPOSITIONS DOW SILICONES CORP (US) 2018-06-20 EP disclosed
US-9006372-B2 Silicone resins and their use in polymer compositions DOW CORNING (SHANGHAI) CO LTD (CN) 2015-04-14 US disclosed
EP-2593496-A1 POLYMER COMPOSITIONS CONTAINING ALKOXYSILANES Dow Corning Corporation (US) 2013-05-22 EP disclosed
EP-2593497-A1 SILICONE RESINS AND THEIR USE IN POLYMER COMPOSITIONS Dow Corning Corporation (US) 2013-05-22 EP disclosed
US-20130065993-A1 Polymer Compositions Containing Alkoxysilanes DOW CORNING CORPORATION (US) 2013-03-14 US disclosed
US-20130066009-A1 Silicone Resins And Their Use In Polymer Compositions DOW CORNING CORPORATION (US) 2013-03-14 US disclosed
WO-2011143930-A1 POLYMER COMPOSITIONS CONTAINING ALKOXYSILANES DOW CORNING CORPORATIOM (US) 2011-11-24 WO disclosed
WO-2011143931-A1 SILICONE RESINS AND THEIR USE IN POLYMER COMPOSITIONS DOW CORNING CORPORATION (US) 2011-11-24 WO disclosed