SCHEMBL15034705

SCHEMBL15034705

CNOCCOCCOCCOCCNC(=O)CCC(NCCN(CCN)CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 8/20 0.39
GLO1 Q04760 2/20 0.36
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
FOLH1 Q04609 1/20 0.30
GGT1 P19440 1/20 0.30
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL24067600 0.76 GGT1 (0.34) GLO1FOLH1GGT1
SCHEMBL22678408 0.73 GLP1R (0.44) GLP1RCA1CA2FOLH1
SCHEMBL25575617 0.70 NOD1 (0.39) BLMPMP22HSD17B10CA1CA2
SCHEMBL14520967 0.70 CA1 (0.46) BLMPMP22HSD17B10CA1CA2
SCHEMBL28033530 0.68 FOLH1 (0.47) BLMPMP22HSD17B10FOLH1GGT1
SCHEMBL28033532 0.68 FOLH1 (0.47) BLMPMP22HSD17B10FOLH1GGT1
SCHEMBL10084960 0.68 GLP1R (0.56) GLP1RFOLH1NOD1
SCHEMBL22906516 0.68 FOLH1 (0.55) GLP1RFOLH1
SCHEMBL14450604 0.68 FOLH1 (0.55) GLP1RFOLH1
SCHEMBL21096839 0.67 GLP1R (0.52) GLP1RGLO1FOLH1

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-2013086396-A1 LABELED ALGINATE CONJUGATES FOR MOLECULAR IMAGING APPLICATIONS IKARIA DEVELOPMENT SUBSIDIARY ONE LLC (US) 2013-06-13 WO disclosed