SCHEMBL8639883

SCHEMBL8639883

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
CETP P11597 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL8638354 1.00 LTA4H (0.45) LTA4HMMP2MMP9MMP8MMP12
SCHEMBL8755957 0.95 LTA4H (0.44) LTA4HMMP2MMP9MMP8MMP12
SCHEMBL8642069 0.90 PTPN1 (0.41) LTA4HMEN1KMT2ADGAT1CTSL
SCHEMBL8639821 0.87 MMP9 (0.48) LTA4HMMP2MMP9MMP8MMP12
SCHEMBL8639097 0.87 MMP9 (0.48) LTA4HMMP2MMP9MMP8MMP12
SCHEMBL8645046 0.87 MMP9 (0.43) MMP2MMP9MMP8MMP12MMP14
SCHEMBL8639130 0.87 ANPEP (0.44) MEN1KMT2ACTSB
Lithium Ion SCHEMBL8637659 0.85 MMP2 (0.44) LTA4HMMP2MMP9MMP8MMP12
SCHEMBL8638508 0.82 NPC1 (0.39) MEN1KMT2ACTSBCTSKALDH1A1
SCHEMBL8642399 0.82 NPC1 (0.39) MEN1KMT2ACTSBCTSKALDH1A1

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-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed