SCHEMBL7302834

SCHEMBL7302834

CCCCC(NC(=O)C(CC(=O)CS(=O)(=O)C(C)(C)C)Cc1ccccc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.48
MMP3 P08254 12/20 0.48
MMP1 P03956 10/20 0.48
MMP7 P09237 6/20 0.46
BIRC2 Q13490 1/20 0.46

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
SCHEMBL7301616 0.89 REN (0.48) MMP2MMP3MMP1MMP7BIRC2
SCHEMBL7294738 0.82 MMP2 (0.46) MMP2MMP3MMP1MMP7BIRC2
SCHEMBL6443866 0.80 MME (0.55) MMP2MMP3MMP1
SCHEMBL6443858 0.80 MME (0.55) MMP2MMP3MMP1
SCHEMBL7293747 0.77 PSMB5 (0.49) MMP2MMP3MMP1MMP7BIRC2
SCHEMBL17553593 0.76 REN (0.53) MMP2MMP1
SCHEMBL6447062 0.76 MME (0.54) MMP2MMP3MMP1
SCHEMBL6447064 0.76 MME (0.54) MMP2MMP3MMP1
SCHEMBL6447060 0.76 MME (0.54) MMP2MMP3MMP1
SCHEMBL7294560 0.75 REN (0.60) MMP2MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed