SCHEMBL7524809

SCHEMBL7524809

Cc1ccc(OCCN(C)C)cc1OCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
LTA4H P09960 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.49
HTR7 P34969 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TNKS O95271 1/20 0.45
MAOA P21397 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13091437 0.85 HRH3 (0.55) KDM4ECHRNB2CHRNA4HRH3LTA4H
SCHEMBL14000157 0.84 KDM4E (0.56) KDM4EALDH1A1HTR7TDP1SMN1; SMN2
SCHEMBL30343866 0.81 KEAP1 (0.53) KDM4ECHRNB2CHRNA4HRH3LTA4H
SCHEMBL310630 0.81 KEAP1 (0.53) KDM4ECHRNB2CHRNA4HRH3LTA4H
SCHEMBL15062039 0.81 KDM4E (0.51) KDM4EHRH3ALDH1A1HTR7SMN1; SMN2
SCHEMBL4632018 0.81 KDM4E (0.51) KDM4ECHRNA4KEAP1NFE2L2ALDH1A1
SCHEMBL18773673 0.81 KDM4E (0.52) KDM4ECHRNB2CHRNA4ALDH1A1MAPT
SCHEMBL12139524 0.81 MAPT (0.56) KDM4ECHRNB2CHRNA4HRH3LTA4H
SCHEMBL17147252 0.81 KDM4E (0.62) KDM4ECHRNB2CHRNA4ALDH1A1MAPT
SCHEMBL10717739 0.79 TSHR (0.46) KDM4ELTA4HALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002018037-A2 GAS VENT FILTER CONSTRUCTION INCORPORATING A HOLLOW FIBER MEMBRANE ASSEMBLY MILLIPORE CORPORATION (US) 2002-03-07 WO disclosed