SCHEMBL2549948

SCHEMBL2549948

COC(=O)Oc1ccnc(-c2cc(OC(=O)OC)ccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.57
CCR5 P51681 2/20 0.57
CCR8 P51685 2/20 0.57
KDM4E B2RXH2 3/20 0.47
KDM6B O15054 2/20 0.47
KDM5C P41229 2/20 0.47
KDM4C Q9H3R0 2/20 0.47
KDM2A Q9Y2K7 2/20 0.47
KDM3A Q9Y4C1 2/20 0.47
JMJD6 Q6NYC1 2/20 0.42
PLAU P00749 1/20 0.38
RIOK2 Q9BVS4 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
KDM5B Q9UGL1 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SYK P43405 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9568958 0.84 AAK1 (0.38) CCR1CCR5CCR8KDM4EKDM6B
SCHEMBL9324832 0.82 SMARCA2 (0.43) CCR1CCR5CCR8RIOK2ALDH1A1
SCHEMBL7167241 0.82 NOS3 (0.59) CCR1CCR5CCR8KDM4ENOS3
SCHEMBL17669635 0.81 CCR1 (0.55) CCR1CCR5CCR8KDM4EKDM6B
SCHEMBL26805734 0.80 L3MBTL1 (0.49) RIOK2
SCHEMBL9519673 0.80 NOS3 (0.41) CCR1CCR5CCR8KDM4ERIOK2
SCHEMBL30596392 0.79 CCR1 (0.59) CCR1CCR5CCR8KDM4EJMJD6
SCHEMBL2637576 0.79 CCR1 (0.52) CCR1CCR5CCR8KDM4EKDM6B
SCHEMBL9566754 0.78 NOS3 (0.41) KDM4ERIOK2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL9515348 0.77 NOS3 (0.40) KDM4ERIOK2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556078-B1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2014-09-24 EP claimed
EP-2556078-A1 CATALYSTS FOR ALKYNE METATHESIS Studiengesellschaft Kohle MbH (DE) 2013-02-13 EP claimed
WO-2011120508-A1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-10-06 WO claimed
EP-2680967-B1 MOLYBDENUM AND TUNGSTEN METAL COMPLEXES AND USE THEREOF AS PRECATALYSTS FOR OLEFIN METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-05-13 EP disclosed
EP-2556078-B1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2014-09-24 EP disclosed
EP-2680967-A1 MOLYBDENUM AND TUNGSTEN METAL COMPLEXES AND USE THEREOF AS PRECATALYSTS FOR OLEFIN METATHESIS Studiengesellschaft Kohle MbH (DE) 2014-01-08 EP disclosed
EP-2556078-A1 CATALYSTS FOR ALKYNE METATHESIS Studiengesellschaft Kohle MbH (DE) 2013-02-13 EP disclosed
WO-2012116695-A1 MOLYBDENUM AND TUNGSTEN METAL COMPLEXES AND USE THEREOF AS PRECATALYSTS FOR OLEFIN METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-09-07 WO disclosed
WO-2011120508-A1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-10-06 WO disclosed