SCHEMBL15600752

SCHEMBL15600752

CC(C)(C)OC(=O)NCCOCCOCCN1C(=O)c2cccc3c(NCCCCCCN)ccc(c23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ RGS12 O14924 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TLR9 Q9NR96 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HDAC1 Q13547 6/20 0.47
▸ HDAC6 Q9UBN7 6/20 0.47
▸ HDAC3 O15379 5/20 0.47
▸ HDAC11 Q96DB2 5/20 0.47
▸ HDAC8 Q9BY41 5/20 0.47
▸ HDAC7 Q8WUI4 4/20 0.47
▸ HDAC2 Q92769 4/20 0.47

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
SCHEMBL15600668 0.90 MEN1 (0.46) MEN1RGS12USP2POLBMAPT
SCHEMBL17522974 0.87 MEN1 (0.46) MEN1RGS12USP2POLBMAPT
SCHEMBL17525438 0.82 CYP1B1 (0.51) MEN1POLBMAPTKMT2AHDAC1
SCHEMBL7524308 0.82 KMT2A (0.69) MEN1RGS12USP2POLBMAPT
SCHEMBL15600669 0.82 KDM4E (0.51) MEN1USP2POLBMAPTMAPK1
SCHEMBL15600753 0.81 MAPT (0.42) MEN1RGS12USP2POLBMAPT
Acetic Acid SCHEMBL29387147 0.80 MEN1 (0.53) MEN1RGS12USP2POLBMAPT
SCHEMBL22181166 0.80 MEN1 (0.58) MEN1RGS12USP2POLBMAPT
SCHEMBL29387419 0.79 MEN1 (0.57) MEN1RGS12USP2POLBMAPT
SCHEMBL22164719 0.79 MEN1 (0.57) MEN1RGS12USP2POLBMAPT

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-2014022807-A2 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING ALUMEND, LLC (US) 2014-02-06 — — WO disclosed
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