SCHEMBL4762159

SCHEMBL4762159

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)Nc1cccc(O)c1)C1CCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
EGFR P00533 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
SYK P43405 1/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
UBE2M P61081 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL4762166 0.80 SIRT5 (0.38) SIRT5SYKDCUN1D1MAPK1KDM4E
SCHEMBL4762162 0.77 MAPK1 (0.41) EGFRMEN1KMT2AAAK1MAPK1
SCHEMBL4766632 0.70 NPC1 (0.41) MEN1KMT2AAAK1MAPK1
SCHEMBL6593215 0.67 MAPK1 (0.36) MEN1KMT2AMAPK1KDM4EMAPT
SCHEMBL6588445 0.67 MAPK1 (0.38) EGFRMEN1KMT2AAAK1MAPK1
SCHEMBL5557583 0.66 CTSK (0.50) MAP1LC3BMAP1LC3AMEN1KMT2AAAK1
SCHEMBL5983644 0.66 RXFP1 (0.43) SYKDCUN1D1HDAC1HDAC3HDAC2
SCHEMBL29764154 0.66 SYK (0.60) SIRT5MEN1KMT2ASYKMAPK1
SCHEMBL526864 0.66 SYK (0.60) SIRT5MEN1KMT2ASYKMAPK1
SCHEMBL6214945 0.65 MAPK1 (0.44) KMT2AMAPK1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed