SCHEMBL8614036

SCHEMBL8614036

CO[C@@H](CC(=O)NO)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.40
BIRC2 Q13490 4/20 0.36
HDAC2 Q92769 3/20 0.35
FOLH1 Q04609 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
BMP1 P13497 1/20 0.32

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
SCHEMBL6376109 0.78 L3MBTL1 (0.33) ECE1
SCHEMBL27813271 0.71 ECE1 (0.47) ECE1BIRC2HDAC2FOLH1HDAC3
SCHEMBL4401595 0.71 ALDH1A1 (0.31)
SCHEMBL21304164 0.70
SCHEMBL228308 0.70
SCHEMBL3396230 0.69
SCHEMBL6412290 0.69 ECE1 (0.41) ECE1HDAC2FOLH1HDAC3HDAC1
SCHEMBL27416714 0.69
SCHEMBL22834424 0.68 BIRC2 (0.41) BIRC2HDAC2FOLH1HDAC3HDAC1
SCHEMBL4399338 0.68

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-0835240-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-15 EP disclosed
WO-1997002239-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-01-23 WO disclosed