SCHEMBL4608650

SCHEMBL4608650

NCCOc1ccc(C2OCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
LTA4H P09960 2/20 0.46
PLA2G2A P14555 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 2/20 0.38
CYP19A1 P11511 2/20 0.38
ESR2 Q92731 2/20 0.38
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HTR1A P08908 2/20 0.36
CYP3A4 P08684 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
SCHEMBL9778747 0.82 MAOB (0.50) TAAR1LTA4HPLA2G2AALDH1A1HTR1A
SCHEMBL4723525 0.82 ALDH1A1 (0.50) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL4723329 0.82 NPC1 (0.49) LTA4HALDH1A1LMNAKCNH2HRH3
SCHEMBL4609655 0.82 KCNH2 (0.38) ALDH1A1LMNASMN1; SMN2KCNH2HRH3
SCHEMBL9778777 0.81 DRD2 (0.43) MEN1ALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9778655 0.81 KDM4E (0.44) KCNH2
SCHEMBL9778597 0.81 MAOB (0.51) LTA4HALDH1A1L3MBTL1KCNH2HRH3
SCHEMBL4741399 0.81 KCNH2 (0.40) ALDH1A1LMNAKCNH2HRH3HTR1A
SCHEMBL10757930 0.78 NR5A1 (0.53) LTA4HALDH1A1LMNAKCNH2HRH3
SCHEMBL4719781 0.78 NQO1 (0.54) LTA4HALDH1A1LMNAL3MBTL1SMN1; SMN2

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