SCHEMBL7868646

SCHEMBL7868646

C=C(CN(C)C)C(=O)NCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 2/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
EPHX1 P07099 2/20 0.35
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
DNM1 Q05193 2/20 0.33
PAX8 Q06710 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
SCHEMBL2190725 0.83 EGFR (0.40) EGFRMMP1MMP2MMP3MMP9
SCHEMBL15542907 0.82 MAPT (0.36) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL2560023 0.79 MMP1 (0.41) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL21118783 0.77 MMP1 (0.40) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL28426666 0.77 MMP1 (0.40) NPC1GAAMAPTRAB9ASMN1; SMN2
N,N-Dimethylethanaminium SCHEMBL446053 0.76 NPC1 (0.40) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL17409765 0.75 MMP1 (0.39) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL1850616 0.75 GAA (0.42) NPC1GAAMAPTRAB9ASMN1; SMN2
Trimethylammonium SCHEMBL21743 0.75 NPC1 (0.42) NPC1GAAMAPTRAB9ASMN1; SMN2
N,N-Dimethylethanaminium SCHEMBL7062326 0.74 NPC1 (0.39) NPC1GAAMAPTRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102794-A1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2001-05-30 EP disclosed
WO-2000006611-A1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2000-02-10 WO disclosed