SCHEMBL4542002

SCHEMBL4542002

OCCN1CN(CCO)C(I)N(CCO)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGL P35573 1/20 0.33
GAA P10253 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.32
GBA1 P04062 1/20 0.32
LCT P09848 1/20 0.32
SI P14410 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL11427654 0.76 AGL (0.33) AGLGAATDP1MGAMGBA1
SCHEMBL23754292 0.76 AGL (0.33) AGLGAATDP1MGAMGBA1
SCHEMBL125784 0.73 ALDH1A1 (0.43) KDM4EALDH1A1KMT2ALMNAHTT
Iodide SCHEMBL4542005 0.70 KDM4E (0.42) KDM4EALDH1A1KMT2ALMNAHTT
SCHEMBL6375763 0.66 KDM4E (0.39) KDM4EALDH1A1KMT2ALMNAHTT
SCHEMBL12298287 0.66 KDM4E (0.39) KDM4EALDH1A1KMT2ALMNAHTT
SCHEMBL15582715 0.63 SLC18A3 (0.47) KDM4EALDH1A1KMT2ALMNAHTT
SCHEMBL3263960 0.63 MAPT (0.33) KMT2AMAPT
SCHEMBL10755143 0.62 ALDH1A1 (0.52) GAAKDM4EALDH1A1KMT2ALMNA
SCHEMBL6382608 0.62 MAPT (0.39) KDM4EALDH1A1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004094572-A2 COMBINATIONS OF ANTI-OXIDANTS AND BIOCIDES IN METAL WORKING FLUIDS CHEMTURA CORPORATION (US) 2004-11-04 WO claimed
US-20040204326-A1 Anti-oxidants in soluble oil base for metal working fluids CROMPTON CORPORATION 2004-10-14 US claimed
US-7569526-B2 Anti-oxidants in soluble oil base for metal working fluids CROMPTON CORPORATION (US) 2009-08-04 US disclosed
US-20080255215-A1 Combinations of Alkylalkanolamines and Alkylbisalkanolamines for Antimicrobial Compositions TAMINCO NV (BE) 2008-10-16 US disclosed
EP-1951038-A2 COMBINATIONS OF ALKYLALKANOLAMINES AND ALKYBISALKANOLAMINES FOR ANTIMICROBIAL COMPOSITIONS Taminco (BE) 2008-08-06 EP disclosed
WO-2007032918-A2 COMBINATIONS OF ALKYLALKANOLAMINES AND ALKYBISALKANOLAMINES FOR ANTIMICROBIAL COMPOSITIONS TAMINCO (BE) 2007-03-22 WO disclosed
WO-2004094572-A2 COMBINATIONS OF ANTI-OXIDANTS AND BIOCIDES IN METAL WORKING FLUIDS CHEMTURA CORPORATION (US) 2004-11-04 WO disclosed
US-20040204326-A1 Anti-oxidants in soluble oil base for metal working fluids CROMPTON CORPORATION 2004-10-14 US disclosed
US-4925582-A USING ALKYL ALKANOLAMINE OXID, INCORPORATED (US) 1990-05-15 US disclosed