SCHEMBL6828633

SCHEMBL6828633

CCCCCC(C(=O)OCC)C(=O)OCC.CCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ZDHHC7 Q9NXF8 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.48
MAPT P10636 3/20 0.48
GPR84 Q9NQS5 5/20 0.47
FFAR1 O14842 1/20 0.47
MAPK1 P28482 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
CPB2 Q96IY4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7508355 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL7775862 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL5849644 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL5860379 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL10017368 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL2948251 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL4416096 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL9116048 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL182928 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1
SCHEMBL1433359 1.00 TDP1 (0.50) TDP1MEN1KMT2AZDHHC7L3MBTL1

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
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed