SCHEMBL14028636

SCHEMBL14028636

COOC(=O)CCNCCNCCC(=O)OOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CA12 O43570 4/20 0.40
CA14 Q9ULX7 4/20 0.40
LTA4H P09960 1/20 0.35
HSD17B10 Q99714 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CA2 P00918 1/20 0.32
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 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
SCHEMBL12847508 0.82 TSHR (0.63) TSHRCA12CA14LTA4HHSD17B10
SCHEMBL10042464 0.82 TSHR (0.63) TSHRCA12CA14LTA4HHSD17B10
SCHEMBL14028638 0.81
SCHEMBL72889 0.79 TSHR (0.67) TSHRCA12CA14LTA4HHSD17B10
SCHEMBL10211 0.79 TSHR (0.56) TSHRCA12CA14HSD17B10MGAM
SCHEMBL12847481 0.74 TSHR (0.52) TSHRCA12CA14LTA4HHSD17B10
SCHEMBL12847703 0.74 TSHR (0.52) TSHRCA12CA14LTA4HHSD17B10
SCHEMBL16638641 0.74 TSHR (0.52) TSHRCA12CA14LTA4HHSD17B10
SCHEMBL2409785 0.73 TSHR (0.47) TSHRCA12CA14HSD17B10MGAM
SCHEMBL29915714 0.73 TSHR (0.59) TSHRCA12CA14LTA4HHSD17B10

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
US-7432239-B2 Polyoxyalkylene compound and method for making CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES (US) 2008-10-07 US disclosed