SCHEMBL4609655

SCHEMBL4609655

BrCCOc1ccc(C2OCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HTR1A P08908 2/20 0.36
MAOB P27338 3/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
CRBN Q96SW2 1/20 0.34
APP P05067 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4741399 0.91 KCNH2 (0.40) KCNH2HRH3HTR1AMAOBMAPT
SCHEMBL9778747 0.82 MAOB (0.50) HTR1AMAOBPKMALDH1A1MAOA
SCHEMBL4608650 0.82 TAAR1 (0.47) KCNH2HRH3HTR1ALMNAALDH1A1
SCHEMBL4723525 0.82 ALDH1A1 (0.50) KCNH2HRH3MAOBMAPTLMNA
SCHEMBL4723329 0.82 NPC1 (0.49) KCNH2HRH3MAOBMAPTLMNA
SCHEMBL9778777 0.81 DRD2 (0.43) KCNH2HRH3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9778655 0.81 KDM4E (0.44) KCNH2MAOBMAPTPKMAPP
SCHEMBL9778597 0.81 MAOB (0.51) KCNH2HRH3HTR1AMAOBALDH1A1
SCHEMBL7397796 0.80 ALDH1A1 (0.40) HTR1AMAOBMAPTCRBNALDH1A1
SCHEMBL3859829 0.79 KCNH2 (0.38) KCNH2HRH3MAPTLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140147452-A1 METHOD FOR REMOVAL OF TOXINS FROM MUCOSAL MEMBRANES POLYRIZON LTD. (IL) 2014-05-29 US disclosed
US-8679484-B2 Method for removal of toxins from mucosal membranes POLYRIZON LTD. (IL) 2014-03-25 US disclosed
US-20080317765-A1 Method for Removal of Toxins from Mucosal Membranes POLYRIZON LTD. (IL) 2008-12-25 US disclosed
EP-1877446-A1 METHOD FOR REMOVAL OF TOXINS FROM MUCOSAL MEMBRANES POLYRIZON LTD. (IL) 2008-01-16 EP disclosed
WO-2006092799-A1 METHOD FOR REMOVAL OF TOXINS FROM MUCOSAL MEMBRANES POLYRIZON LTD. (IL) 2006-09-08 WO disclosed