SCHEMBL8639097

SCHEMBL8639097

CC(C)C[C@H](NC(CCC(=O)Nc1ccccc1)C(=O)O)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.48
MMP2 P08253 4/20 0.48
MMP8 P22894 2/20 0.48
MMP12 P39900 2/20 0.48
MMP14 P50281 2/20 0.48
MMP3 P08254 5/20 0.41
MMP1 P03956 3/20 0.41
DGAT1 O75907 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LTA4H P09960 2/20 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
SCHEMBL8639821 1.00 MMP9 (0.48) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8755957 0.92 LTA4H (0.44) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8638392 0.90 LMNA (0.45) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8638354 0.87 LTA4H (0.45) MMP9MMP2MMP8MMP12MMP14
Lithium Ion SCHEMBL8637659 0.87 MMP2 (0.44) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8639883 0.87 LTA4H (0.45) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8638471 0.87 MMP2 (0.49) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8637603 0.86 MMP9 (0.50) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8637613 0.83 MME (0.55) MMP9MMP3MMP1HPGD
Hydrochloric Acid SCHEMBL8636625 0.81 MMP9 (0.46) MMP9MMP2MMP3MMP1CTSB

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
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP claimed
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed
EP-0766694-A1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-04-09 EP disclosed
WO-1995035307-A1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1995-12-28 WO disclosed