SCHEMBL4774700

SCHEMBL4774700

CC(C)(C)OC(=O)CN1CCCCN(CCN)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
CACNA1H O95180 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 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
SCHEMBL4026767 0.87 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9APLA2G10
SCHEMBL28351674 0.85 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9APLA2G10
SCHEMBL303434 0.85 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9APLA2G10
SCHEMBL9610823 0.84 DRD2 (0.37) PLA2G10PLA2G5CACNA1H
SCHEMBL4180063 0.83 CTSK (0.43) MEN1KMT2ANPC1RAB9APLA2G10
SCHEMBL3470166 0.83 PLA2G10 (0.41) MEN1KMT2ANPC1RAB9APLA2G10
SCHEMBL27147241 0.83 PLA2G10 (0.41) MEN1KMT2ANPC1RAB9APLA2G10
SCHEMBL3799622 0.83 PLA2G10 (0.41) MEN1KMT2ANPC1RAB9APLA2G10
SCHEMBL14312161 0.81 SIGMAR1 (0.48) MEN1KMT2ANPC1RAB9APLA2G10
SCHEMBL13014173 0.80 PLA2G10 (0.39) ALOX15KMT2APLA2G10PLA2G5CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641770-A4 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES UNIV HONG KONG (CN) 2008-12-31 EP disclosed
EP-1641770-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES The University of Hong Kong (CN) 2006-04-05 EP disclosed
US-20050033106-A1 Synthesis of tris N-alkylated 1,4,7,10-tetraazacyclododecanes UNIVERSITY OF HONG KONG (CN) 2005-02-10 US disclosed
WO-2005003105-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES THE UNIVERSITY OF HONG KONG (CN) 2005-01-13 WO disclosed