SCHEMBL2551218

SCHEMBL2551218

CCCCOC(=O)Oc1cc(-c2cc(OC(=O)OCCCC)c3ccccc3n2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
PLA2G2A P14555 1/20 0.48
ELANE P08246 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
PDE10A Q9Y233 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2548727 0.95 ALDH1A1 (0.45) DHODHPLA2G2AELANEL3MBTL1GAA
SCHEMBL30271650 0.79 KDM4E (0.48) DHODHGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL30271652 0.79 KDM4E (0.48) DHODHGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5400497 0.79 PLA2G2A (0.65) DHODHPLA2G2AL3MBTL1GAAPDE10A
SCHEMBL31310820 0.79 PLA2G2A (0.65) DHODHPLA2G2AL3MBTL1GAAPDE10A
SCHEMBL23271888 0.79 ELANE (0.57) ELANEL3MBTL1ALDH1A1LMNATSHR
SCHEMBL21065456 0.77 KDM4E (0.51) DHODHGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL21065472 0.77 KDM4E (0.51) DHODHGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL28383797 0.77 ELANE (0.59) ELANEL3MBTL1GAAALDH1A1RAB9A
SCHEMBL247426 0.76 LMNA (0.51) DHODHPDE10ASMN1; SMN2ALDH1A1NPC1

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 10 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-1449580-B1 Production method of a cross-coupling compound from an alkyl halide and an organoboron compound SUMITOMO CHEMICAL CO (JP) 2005-12-28 EP 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