SCHEMBL7787564

SCHEMBL7787564

CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.55
ACE P12821 2/20 0.55
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
BMP1 P13497 1/20 0.54
MMP2 P08253 10/20 0.52
MMP1 P03956 5/20 0.52
MMP3 P08254 5/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
MMP7 P09237 1/20 0.49
BIRC2 Q13490 1/20 0.49

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
SCHEMBL7787562 1.00 MME (0.55) MMEACECPA1ACE2BMP1
SCHEMBL7118239 0.90 BIRC2 (0.62) BMP1MMP2MMP1MMP3BIRC2
SCHEMBL7118243 0.90 BIRC2 (0.62) BMP1MMP2MMP1MMP3BIRC2
SCHEMBL14282135 0.90 BMP1 (0.52) BMP1MMP2MMP1MMP3HDAC3
SCHEMBL7118008 0.89 BIRC2 (0.53) BMP1MMP2MMP1MMP3HDAC3
SCHEMBL7084246 0.89 BIRC2 (0.53) BMP1MMP2MMP1MMP3HDAC3
SCHEMBL7114508 0.89 BIRC2 (0.52) MMEBMP1MMP2MMP1MMP3
SCHEMBL7114506 0.89 BIRC2 (0.52) MMEBMP1MMP2MMP1MMP3
SCHEMBL7084074 0.88 BIRC2 (0.54) BMP1MMP2MMP1MMP3MMP7
SCHEMBL7077148 0.88 BIRC2 (0.52) BMP1MMP2MMP1MMP3BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
EP-1146868-A1 ANTI-INFLAMMATORY AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-10-24 EP disclosed
WO-2000043001-A1 ANTI-INFLAMMATORY AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-07-27 WO disclosed