SCHEMBL4411164

SCHEMBL4411164

CN(C)CCCOC(=O)C=CC(=O)OCCCN(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HCAR2 Q8TDS4 5/20 0.52
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRM3 P20309 1/20 0.43
CHRNA4 P43681 1/20 0.43
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL5013882 1.00 ATM (0.59) ATMLMNASMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28061112 0.98 LMNA (0.59) ATMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11251326 0.94 ATM (0.57) ATMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL30356595 0.92 HCAR2 (0.65) ATMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17695736 0.92 LMNA (0.55) ATMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8016512 0.92 LMNA (0.55) ATMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL544702 0.92 ATM (0.55) ATMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL543769 0.92 ATM (0.55) ATMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL543771 0.92 ATM (0.55) ATMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8489525 0.91 LMNA (0.50) ATMLMNASMN1; SMN2ALDH1A1KDM4E

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-7638118-B2 Aminoalkyl substituted esters and amides of fumaric acid for neutralizing malodor GIVAUDAN SA (CH) 2009-12-29 US disclosed
EP-1735267-B1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR GIVAUDAN SA (CH) 2008-07-23 EP disclosed
US-20070009475-A1 Aminoalkyl substituted esters and amides of fumaric acid for neutralizing malodor GIVAUDAN SA (CH) 2007-01-11 US disclosed
EP-1735267-A1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR Givaudan SA (CH) 2006-12-27 EP disclosed
WO-2005021051-A1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR GIVAUDAN SA (CH) 2005-03-10 WO disclosed