SCHEMBL8086543

SCHEMBL8086543

CCCCCCCCCCCCCCCCCCCC(CCNC(=O)OC(C)(C)C)CCC(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
ACE2 Q9BYF1 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
CTSK P43235 7/20 0.41
CTSS P25774 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EPHX1 P07099 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.36
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 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
SCHEMBL17079742 0.82 MEN1 (0.72) MEN1KMT2AGAATDP1CTSK
SCHEMBL26520283 0.82 MEN1 (0.72) MEN1KMT2AGAATDP1CTSK
SCHEMBL18251802 0.82 MEN1 (0.67) MEN1KMT2AGAAACE2TDP1
SCHEMBL45626 0.82 MEN1 (0.65) MEN1KMT2AGAATDP1CTSK
SCHEMBL7882078 0.82 MEN1 (0.65) MEN1KMT2AGAATDP1CTSK
SCHEMBL15723436 0.82 MEN1 (0.65) MEN1KMT2AGAATDP1CTSK
SCHEMBL9945627 0.81 MEN1 (0.69) MEN1KMT2AGAATDP1MAOA
SCHEMBL12787794 0.81 MEN1 (0.69) MEN1KMT2AGAATDP1MAOA
SCHEMBL12762769 0.81 MEN1 (0.69) MEN1KMT2AGAATDP1MAOA
SCHEMBL23417829 0.79 MEN1 (0.76) MEN1KMT2AGAATDP1CTSK

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-6034211-A β-sheet nucleating peptidomimetics KELLY JEFFERY W (US) 2000-03-07 US disclosed