SCHEMBL3901199

SCHEMBL3901199

CCCCS(=O)(=O)NC(=O)C(CCc1ccccc1)CN(O)C=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.48
CTSK P43235 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP12 P39900 1/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3900855 0.83 BMP1 (0.45) BMP1MMP12
SCHEMBL3900001 0.81 ALDH1A1 (0.47) BMP1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL3898472 0.78 BMP1 (0.51) BMP1
SCHEMBL3900004 0.77 BMP1 (0.55) BMP1MMP12
SCHEMBL6024214 0.77 HDAC1 (0.44) BMP1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL3911104 0.74 BMP1 (0.56) BMP1MMP12MMP2
SCHEMBL6024256 0.73 ALDH1A1 (0.52) BMP1HDAC1HDAC2HDAC8HDAC6
SCHEMBL1595891 0.73 BMP1 (0.57) BMP1MMP12
SCHEMBL1595893 0.73 BMP1 (0.57) BMP1MMP12
SCHEMBL1595896 0.73 BMP1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615629-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP claimed