SCHEMBL809301

SCHEMBL809301

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.41
KMT2A Q03164 3/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 2/20 0.39
ELANE P08246 2/20 0.38
TPMT P51580 2/20 0.38
MAPT P10636 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 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
SCHEMBL809187 0.85 ELANE (0.53) PLA2G2AKMT2ATHRATHRBMEN1
SCHEMBL12693511 0.81 KMT2A (0.56) KMT2AELANEMAPTCA1CA2
SCHEMBL19473391 0.81 PLA2G2A (0.41) PLA2G2AKMT2ATHRATHRBMEN1
SCHEMBL22279621 0.81 PLA2G2A (0.41) PLA2G2AKMT2ATHRATHRBMEN1
SCHEMBL22941003 0.79 KDM4E (0.37) KMT2AMEN1ELANECA12CA1
SCHEMBL19480254 0.77 ELANE (0.46) PLA2G2AKMT2ATHRATHRBMEN1
SCHEMBL25845029 0.76 HSD11B1 (0.33) KMT2AMEN1ELANE
SCHEMBL3686069 0.76 ELANE (0.55) KMT2AMEN1ELANEMAPTPKM
SCHEMBL662703 0.75 ELANE (0.53) KMT2AMEN1ELANEMAPT
SCHEMBL417129 0.74 HSD17B10 (0.57) PLA2G2AKMT2AMEN1ELANETPMT

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 14 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-1740629-B1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS ADVANCED POLYMERIK PTY LTD (AU) 2011-03-30 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-1740629-A4 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS POLYMERS AUSTRALIA PTY LTD (AU) 2007-10-24 EP disclosed
US-20070187656-A1 Photochromic compositions and articles comprising siloxane, alkylene or substituted alkylene oligomers POLYMERS AUSTRALIA PTY LIMITED (AU) 2007-08-16 US disclosed
US-20070187656-A1 Photochromic compositions and articles comprising siloxane, alkylene or substituted alkylene oligomers POLYMERS AUSTRALIA PTY LIMITED (AU) 2007-08-16 US disclosed
US-20070187656-A1 Photochromic compositions and articles comprising siloxane, alkylene or substituted alkylene oligomers POLYMERS AUSTRALIA PTY LIMITED (AU) 2007-08-16 US 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
EP-1740629-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS Polymers Australia PTY Limited (AU) 2007-01-10 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
WO-2005105875-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS POLYMERS AUSTRALIA PTY LIMITED (AU) 2005-11-10 WO disclosed