SCHEMBL14309092

SCHEMBL14309092

COOCC(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 5/20 0.50
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
ATM Q13315 2/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL13405019 0.89 MEN1 (0.54) MEN1KMT2AGAATDP1MAOA
SCHEMBL16286191 0.85 MEN1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL10190369 0.83 TDP1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL8062203 0.83 TDP1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL20358461 0.83 MEN1 (0.56) MEN1KMT2AGAATDP1MAOA
SCHEMBL23168272 0.83 TDP1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL22162664 0.82 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL3082046 0.82 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL3082048 0.82 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL13767609 0.82 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA

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-7314940-B2 For therapy and prophylaxis of neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2008-01-01 US disclosed