SCHEMBL4069000

SCHEMBL4069000

CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cc2ccccc2o1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 12/20 0.72
MMP12 P39900 5/20 0.72
TLL1 O43897 1/20 0.49
TLL2 Q9Y6L7 1/20 0.49
HDAC3 O15379 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6024195 0.90 BMP1 (0.59) BMP1MMP12HDAC3TAS1R3TAS1R1
SCHEMBL4068544 0.87 BMP1 (0.71) BMP1MMP12HDAC3TAS1R3TAS1R1
SCHEMBL11889625 0.85 BMP1 (0.59) BMP1MMP12TLL1TLL2
SCHEMBL16898498 0.82 BMP1 (1.00) BMP1MMP12TLL1TLL2
SCHEMBL16898496 0.82 BMP1 (1.00) BMP1MMP12TLL1TLL2
SCHEMBL4069976 0.81 BMP1 (0.53) BMP1MMP12ALDH1A1TP53HPGD
SCHEMBL1596968 0.80 BMP1 (0.51) BMP1MMP12
SCHEMBL1596965 0.80 BMP1 (0.51) BMP1MMP12
SCHEMBL6755699 0.80 BMP1 (0.48) BMP1MMP12TAS1R3TAS1R1
SCHEMBL7041315 0.80 BMP1 (0.48) BMP1MMP12TAS1R3TAS1R1

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-1585757-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
EP-1585757-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP disclosed
WO-2004052919-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed