SCHEMBL2548727

SCHEMBL2548727

CCCCCCCOC(=O)Oc1cc(-c2cc(OC(=O)OCCCCCCC)c3ccccc3n2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
TLR8 Q9NR97 2/20 0.44
DHODH Q02127 2/20 0.44
PLA2G2A P14555 1/20 0.44
TP53 P04637 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ELANE P08246 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 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
SCHEMBL2551218 0.95 DHODH (0.48) ALDH1A1TSHRLMNATLR8DHODH
SCHEMBL30271652 0.82 KDM4E (0.48) ALDH1A1TSHRLMNATLR8DHODH
SCHEMBL30271650 0.82 KDM4E (0.48) ALDH1A1TSHRLMNATLR8DHODH
SCHEMBL23271954 0.80 TSHR (0.55) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL23271706 0.80 TSHR (0.55) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL23271797 0.80 TSHR (0.55) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL23271648 0.80 TSHR (0.55) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL23271664 0.80 TSHR (0.55) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL23271660 0.80 TSHR (0.55) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL23271875 0.80 TSHR (0.55) ALDH1A1TSHRLMNATP53MAPT

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-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