SCHEMBL5749667

SCHEMBL5749667

CCC(CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
GAA P10253 1/20 0.77
TDP1 Q9NUW8 2/20 0.57
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA2 P00918 8/20 0.49
MAPK1 P28482 1/20 0.49
CA1 P00915 7/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
ATM Q13315 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL18704730 1.00 MEN1 (0.77) MEN1KMT2AGAATDP1MAOA
SCHEMBL13694012 0.95 MEN1 (0.84) MEN1KMT2AGAATDP1MAOA
SCHEMBL15376152 0.90 MEN1 (0.71) MEN1KMT2AGAATDP1MAOA
SCHEMBL12341083 0.90 MEN1 (0.71) MEN1KMT2AGAATDP1MAOA
SCHEMBL25501121 0.89 MEN1 (0.79) MEN1KMT2AGAATDP1MAOA
SCHEMBL16197656 0.87 MEN1 (0.66) MEN1KMT2AGAATDP1MAOA
SCHEMBL1709320 0.86 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
SCHEMBL12481928 0.86 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
SCHEMBL1709276 0.86 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
SCHEMBL9327481 0.85 MEN1 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed