SCHEMBL15215664

SCHEMBL15215664

CC(=O)NCCCCC(C(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 4/20 0.36
PAOX Q6QHF9 3/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
FOLH1 Q04609 1/20 0.34
ATM Q13315 1/20 0.34
ADRA1A P35348 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL22966171 0.82 TDP1 (0.37) TDP1
SCHEMBL4537445 0.81 CPB2 (0.37)
SCHEMBL896853 0.81 CPB2 (0.37)
SCHEMBL18291030 0.81 GNAI3 (0.37) MEN1KMT2AGAATDP1PAOX
SCHEMBL15846935 0.81 DPP7 (0.38) MEN1KMT2AGAATDP1
SCHEMBL19471168 0.80 MEN1 (0.31) MEN1KMT2AGAATDP1
SCHEMBL13799322 0.80 MAPT (0.41) TDP1FOLH1NPSR1MAPT
SCHEMBL4541834 0.79 MAPT (0.56) FOLH1MAPT
SCHEMBL22334291 0.79 MEN1 (0.30) MEN1KMT2AGAATDP1CA1
SCHEMBL1882392 0.79 MAPT (0.56) FOLH1MAPT

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
US-20130224881-A1 POLYROTAXANES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2013-08-29 US disclosed
US-20130224881-A1 POLYROTAXANES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2013-08-29 US disclosed