SCHEMBL6023729

SCHEMBL6023729

CCCCC[C@H](CN(O)C=O)C(=O)N(N)C(=O)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 8/20 0.44
MMP12 P39900 2/20 0.44
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TSHR P16473 1/20 0.40
ALOX5 P09917 1/20 0.40
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL6024289 0.86 BMP1 (0.43) BMP1MMP12TAS1R3TAS1R1RAB9A
SCHEMBL6024763 0.83 BMP1 (0.53) BMP1MMP12TAS1R3TAS1R1TSHR
SCHEMBL6024770 0.74 BMP1 (0.44) BMP1MMP12TAS1R3TAS1R1TSHR
SCHEMBL4591903 0.74 BMP1 (0.37) BMP1MMP12
SCHEMBL4591901 0.74 BMP1 (0.37) BMP1MMP12
SCHEMBL6024610 0.74 BMP1 (0.44) BMP1MMP12NPC1
SCHEMBL6024483 0.74 BMP1 (0.53) BMP1MMP12TAS1R3TAS1R1HDAC3
SCHEMBL6024774 0.73 BMP1 (0.41) BMP1MMP12
SCHEMBL6023388 0.73 BMP1 (0.44) BMP1MMP12
SCHEMBL6023477 0.72 BMP1 (0.49) BMP1MMP12

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 disclosed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 WO disclosed