SCHEMBL3715257

SCHEMBL3715257

CN(C)C=C1CCCC(C(=O)N2CCCC2)C1=O.O=C1CCCCC1C(=O)N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
PREP P48147 3/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL3715254 1.00 MCL1 (0.33) MCL1L3MBTL1MAPK1PREPHPGD
SCHEMBL1616974 0.92 L3MBTL1 (0.38) L3MBTL1PREPHPGD
SCHEMBL1616973 0.92 L3MBTL1 (0.38) L3MBTL1PREPHPGD
SCHEMBL3665190 0.85
SCHEMBL1615855 0.82 TSHR (0.35) L3MBTL1MAPK1HPGD
SCHEMBL1615856 0.82 TSHR (0.35) L3MBTL1MAPK1HPGD
SCHEMBL1617404 0.80 MCL1 (0.47) MCL1L3MBTL1MAPK1PREPHPGD
SCHEMBL415897 0.78 HPGD (0.48) MCL1L3MBTL1MAPK1PREPHPGD
SCHEMBL3662314 0.75 TLR4 (0.39) MCL1MAPK1HPGD
SCHEMBL1616198 0.72 MAPT (0.41) MAPK1

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-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed