SCHEMBL6024706

SCHEMBL6024706

CCCCC[C@H](CN(O)C=O)C(=O)N(N)C(=O)c1ccc(OC)nc1OC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.40
MMP12 P39900 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 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
SCHEMBL6024739 0.81 BMP1 (0.41) BMP1MMP12
SCHEMBL6024071 0.81 BMP1 (0.47) BMP1MMP12POLBTDP1HDAC3
SCHEMBL6024283 0.74 BMP1 (0.42) BMP1
SCHEMBL6024770 0.74 BMP1 (0.44) BMP1MMP12
SCHEMBL6023843 0.73 BMP1 (0.44) BMP1MMP12
SCHEMBL6024774 0.72 BMP1 (0.41) BMP1MMP12
SCHEMBL6023388 0.72 BMP1 (0.44) BMP1MMP12
SCHEMBL6024415 0.72 BMP1 (0.39) BMP1MMP12
SCHEMBL6024206 0.71 HCRTR1 (0.40) BMP1
SCHEMBL6023729 0.70 BMP1 (0.44) BMP1MMP12KMT2AHDAC3HDAC1

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-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP claimed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP claimed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 WO claimed