SCHEMBL809353

SCHEMBL809353

CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc(C(=O)Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.52
ALOX15 P16050 1/20 0.37
GLRA1 P23415 1/20 0.36
CA2 P00918 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KMT2A Q03164 4/20 0.33
ADRB2 P07550 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TTR P02766 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL809187 0.82 ELANE (0.53) ELANEALOX15CA2KMT2AMEN1
SCHEMBL809319 0.82 ELANE (0.53) ELANEKMT2AMEN1LMNATP53
SCHEMBL392901 0.82 LMNA (0.47) ELANEKMT2AMEN1KDM4ELMNA
SCHEMBL195019 0.78 LMNA (0.43) ELANEKMT2AMEN1KDM4ELMNA
SCHEMBL11699992 0.77 MEN1 (0.32) GLRA1KMT2AMEN1
SCHEMBL28312881 0.76 ELANE (0.50) ELANEALOX15CA2HTR1DHTR1B
SCHEMBL1814578 0.76 KMT2A (0.47) GLRA1KMT2AMEN1
SCHEMBL19480254 0.75 ELANE (0.46) ELANEALOX15CA2KMT2AMEN1
SCHEMBL16675175 0.74 ELANE (0.68) ELANEKMT2AMEN1LMNAMAPT
SCHEMBL13259257 0.74 LMNA (0.41) ELANEKMT2AMEN1KDM4ELMNA

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-1802726-B1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF ADVANCED POLYMERIK PTY LTD (AU) 2011-11-30 EP disclosed
EP-1802726-B1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF ADVANCED POLYMERIK PTY LTD (AU) 2011-11-30 EP disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
EP-1802726-A4 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LTD (AU) 2008-04-30 EP disclosed
EP-1802726-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF Polymers Australia PTY Limited (AU) 2007-07-04 EP disclosed
WO-2006024099-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LIMITED (AU) 2006-03-09 WO disclosed