SCHEMBL4647008

SCHEMBL4647008

CC(C)(C)OC(=O)NC(C(=O)N[C@H]1CCNC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
AAK1 Q2M2I8 4/20 0.44
FPR2 P25090 2/20 0.42
GAA P10253 1/20 0.41
EPHX1 P07099 3/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
BTK Q06187 1/20 0.36
REN P00797 2/20 0.36
KMT2A Q03164 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL22679471 0.87 HDAC4 (0.57) HDAC4HDAC1HDAC6AAK1FPR2
SCHEMBL8121031 0.83 KMT2A (0.46) HDAC4HDAC1HDAC6GAAEPHX1
SCHEMBL8121033 0.83 KMT2A (0.46) HDAC4HDAC1HDAC6GAAEPHX1
SCHEMBL8387090 0.83 KMT2A (0.46) HDAC4HDAC1HDAC6GAAEPHX1
SCHEMBL2724209 0.82 AAK1 (0.42) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL3039995 0.80 AAK1 (0.50) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL31311637 0.80 AAK1 (0.50) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL3039988 0.80 AAK1 (0.50) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL25306007 0.79 BTK (0.50) GAAEPHX1CTSKBTKREN
SCHEMBL48274 0.79 BTK (0.50) GAAEPHX1CTSKBTKREN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed