SCHEMBL4587694

SCHEMBL4587694

O=C(OOC(=O)c1cccc(CBr)c1CBr)c1cccc(CBr)c1CBr

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 3/20 0.34
PTPN1 P18031 1/20 0.33
F2 P00734 1/20 0.33
PLK1 P53350 1/20 0.32
HMGB1 P09429 1/20 0.32
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
FOLH1 Q04609 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL5839700 0.86 ALDH1A1 (0.53) ALDH1A1LMNATSHRKMT2AKDM4E
SCHEMBL491271 0.82 ALDH1A1 (0.47) ALDH1A1LMNATSHRPTPN1F2
SCHEMBL29204409 0.81 ALDH1A1 (0.32) ALDH1A1LMNATSHRCYP3A4
SCHEMBL8885426 0.81 ALDH1A1 (0.44) ALDH1A1TSHRHMGB1FOLH1KDM4E
SCHEMBL11771979 0.78 KMT2A (0.36) ALDH1A1LMNATSHRKMT2ANPC1
SCHEMBL3538611 0.77 ALDH1A1 (0.51) ALDH1A1LMNATSHRKMT2AKDM4E
SCHEMBL11771973 0.77 SCN1A (0.45) ALDH1A1LMNATSHRKDM4ESCN1A
SCHEMBL4780573 0.77 GABRA1 (0.45) ALDH1A1LMNATSHRCYP3A4
SCHEMBL31530859 0.77 GABRA1 (0.45) ALDH1A1LMNATSHRCYP3A4
Bromide SCHEMBL11770889 0.76 L3MBTL1 (0.44) ALDH1A1LMNATSHRCYP3A4SCN1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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