SCHEMBL4644425

SCHEMBL4644425

CC(=O)OCCN.CC(=O)OCCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 2/20 0.46
CA12 O43570 7/20 0.46
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.39
MALT1 Q9UDY8 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2279724 0.92 TDP1 (0.53) TDP1IDO1CA12CA1CA2
SCHEMBL20500827 0.85 TDP1 (0.50) TDP1IDO1CA12CA1CA2
SCHEMBL28500736 0.82 TDP1 (0.47) TDP1IDO1CA12CA1CA2
SCHEMBL1063374 0.81 CA12 (0.60) TDP1IDO1CA12CA1CA2
SCHEMBL222081 0.81 TDP1 (0.50) TDP1IDO1CA12CA1CA2
Hydrochloric Acid SCHEMBL27999755 0.81 TDP1 (0.46) TDP1IDO1CA12CA1CA2
SCHEMBL23728804 0.80 TDP1 (0.49) TDP1IDO1CA12CA1CA2
SCHEMBL22515370 0.80 TDP1 (0.49) TDP1IDO1CA12CA1CA2
SCHEMBL21113607 0.80 TDP1 (0.49) TDP1IDO1CA12CA1CA2
SCHEMBL22939675 0.80 TDP1 (0.49) TDP1IDO1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed