SCHEMBL7763698

SCHEMBL7763698

CC(=O)C(S)(CCCCN1C(=O)c2ccccc2C1=O)C(=O)N(C(=O)C(N)CC(C)C)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
MMP1 P03956 3/20 0.38
MMP3 P08254 3/20 0.38
MMP2 P08253 2/20 0.36
MMP7 P09237 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MAOB P27338 5/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
ACHE P22303 7/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 2/20 0.35

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
SCHEMBL8763029 0.97 ELANE (0.40) ELANEMMP1MMP3MMP2MMP7
SCHEMBL7384535 0.82 ELANE (0.44) ELANEMMP1MMP3MMP2MMP7
SCHEMBL8764118 0.81 LTA4H (0.38) MMP1MMP2MMP9ANPEPRNPEP
SCHEMBL7402161 0.76 MMP3 (0.48) ELANEMMP1MMP3MMP2MMP7
SCHEMBL7402091 0.76 ELANE (0.46) ELANEMMP1MMP3MMP2MAOB
SCHEMBL7397759 0.76 MMP3 (0.49) ELANEMMP1MMP3MMP2MMP7
SCHEMBL7403302 0.75 MMP1 (0.48) ELANEMMP1MMP3MMP2MMP7
SCHEMBL7405706 0.75 ELANE (0.47) ELANEMMP1MMP3MMP2MMP9
SCHEMBL7397719 0.73 ELANE (0.44) ELANEMMP1MMP3MMP2MMP7
SCHEMBL7593717 0.71 ELANE (0.44) ELANEMMP1MMP3MMP2MMP7

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
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed