SCHEMBL2816261

SCHEMBL2816261

CCOP(=O)(CCCCCCCCCCCCNCCN)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
TSHR P16473 1/20 0.39
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA3 P07451 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.37
PAOX Q6QHF9 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
SCHEMBL9203519 0.87 PPARD (0.52) PPARDS1PR2S1PR4S1PR1S1PR3
SCHEMBL371405 0.84 PPARD (0.48) PPARDS1PR2S1PR4S1PR1S1PR3
SCHEMBL5841645 0.83 PPARD (0.50) PPARDTSHRMEN1CYP1A2KMT2A
SCHEMBL15927961 0.83 PPARD (0.50) PPARDTSHRMEN1CYP1A2KMT2A
SCHEMBL14189812 0.83 PPARD (0.50) PPARDTSHRMEN1CYP1A2KMT2A
SCHEMBL29374057 0.83 PPARD (0.50) PPARDTSHRMEN1CYP1A2KMT2A
SCHEMBL9203692 0.81 PPARD (0.52) PPARDTSHRMEN1CYP1A2THPO
SCHEMBL11514496 0.80 PPARD (0.61) PPARDTSHR
SCHEMBL7268183 0.80 PPARD (0.61) PPARDTSHR
SCHEMBL11323349 0.80 PPARD (0.61) PPARDTSHR

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
EP-1973583-B1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES CENTRE NAT RECH SCIENT (FR) 2016-09-14 EP claimed
US-8586758-B2 Preparation of an inorganic substrate having antimicrobial properties CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-11-19 US claimed
US-20100249425-A1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-09-30 US claimed
US-8586758-B2 Preparation of an inorganic substrate having antimicrobial properties CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-11-19 US disclosed
US-20100249425-A1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-09-30 US disclosed