SCHEMBL809308

SCHEMBL809308

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ELANE P08246 6/20 0.39
TPMT P51580 2/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA3 P07451 1/20 0.37
PKM P14618 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
RXRA P19793 1/20 0.37
TTR P02766 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
SCHEMBL5597484 0.88 ELANE (0.45) MEN1KMT2AELANETTR
SCHEMBL22279622 0.83 PLA2G2A (0.41) PLA2G2AMEN1KMT2AELANETPMT
SCHEMBL809410 0.83 ELANE (0.38) ELANE
SCHEMBL809363 0.82 AKR1C3 (0.54) KMT2AELANERXRA
SCHEMBL13873976 0.81 CA1 (0.46) ELANECA1CA2CA12CA7
SCHEMBL22607186 0.81 ELANE (0.56) KMT2AELANECA1CA2CA12
SCHEMBL15431761 0.80 ALDH1A1 (0.46) MEN1KMT2AELANECA1CA2
SCHEMBL2022588 0.76 KMT2A (0.39) MEN1KMT2AELANETTR
SCHEMBL14680932 0.76 ELANE (0.48) ELANE
SCHEMBL417129 0.75 HSD17B10 (0.57) PLA2G2AMEN1KMT2AELANETPMT

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 7 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
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