SCHEMBL4229904

SCHEMBL4229904

CCOP(=O)(CCCCCCCCCCCCNC(=O)O)OCC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PPARD Q03181 1/20 0.46
EPHX1 P07099 3/20 0.38
TSHR P16473 1/20 0.38
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL20174136 0.83 MEN1 (0.59) CA12CA1CA2CA9PPARD
SCHEMBL18256330 0.80 CASP2 (0.56) CA12CA1CA2CA9PPARD
SCHEMBL7747785 0.80 EPHX1 (0.61) CA12CA1CA2CA9EPHX1
SCHEMBL18248592 0.80 CASP2 (0.56)
SCHEMBL7268183 0.79 PPARD (0.61) PPARDTSHR
SCHEMBL11514496 0.79 PPARD (0.61) PPARDTSHR
SCHEMBL11323349 0.79 PPARD (0.61) PPARDTSHR
SCHEMBL11699849 0.79 CA12 (0.50) CA12CA1CA2CA9PPARD
SCHEMBL20174138 0.78 CA12 (0.46) CA12CA1CA2CA9PPARD
SCHEMBL14679027 0.77 MEN1 (0.55) CA12CA1CA2CA9PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816107-B2 Functionalised nanoparticles, their production and use COLOROBBIA ITALIA S.P.A. (IT) 2014-08-26 US disclosed
EP-1979365-B1 FUNCTIONALISED NANOPARTICLES, THEIR PRODUCTION AND USE COLOROBBIA ITALIANA SPA (IT) 2012-07-11 EP disclosed
US-20090054555-A1 Functionalised Nanoparticles, Their Production and Use COLOROBBIA ITALIA S.P.A. (IT) 2009-02-26 US disclosed
EP-1979365-A2 FUNCTIONALISED NANOPARTICLES, THEIR PRODUCTION AND USE Colorobbia Italia S.p.a. (IT) 2008-10-15 EP disclosed
WO-2007077240-A2 FUNCTIONALISED NANOPARTICLES, THEIR PRODUCTION AND USE COLOROBBIA ITALIA S.P.A. (IT) 2007-07-12 WO disclosed