SCHEMBL7364166

SCHEMBL7364166

CNC(=O)[C@H](Cc1ccc(OCC(=O)N(C)C(=O)O)cc1)NC(=O)N(O)C(=O)CCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.41
MMP8 P22894 2/20 0.41
MMP1 P03956 13/20 0.41
MMP3 P08254 7/20 0.41
MMP2 P08253 4/20 0.41
ADAM17 P78536 1/20 0.38
MMP13 P45452 2/20 0.38
MMP7 P09237 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KLKB1 P03952 1/20 0.37

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
SCHEMBL7356834 0.92 MMP1 (0.41) MMP9MMP8MMP1MMP3MMP2
SCHEMBL7356588 0.92 MMP1 (0.41) MMP9MMP8MMP1MMP3MMP2
SCHEMBL7354511 0.90 MMP1 (0.44) MMP9MMP8MMP1MMP3MMP2
SCHEMBL6416552 0.85 MMP1 (0.54) MMP9MMP8MMP1MMP3MMP2
SCHEMBL7360065 0.83 MMP1 (0.51) MMP9MMP8MMP1MMP3MMP2
SCHEMBL7363203 0.81 MMP1 (0.40) MMP9MMP8MMP1MMP3MMP2
SCHEMBL7360049 0.80 MMP1 (0.38) MMP9MMP8MMP1MMP3MMP2
SCHEMBL6416222 0.79 MMP1 (0.39) MMP9MMP8MMP1MMP3MMP2
SCHEMBL7358479 0.75 ALOX5 (0.44) MMP9MMP8MMP1MMP3MMP2
SCHEMBL7363512 0.75 MMP3 (0.45) MMP8MMP1MMP3MMP2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed
EP-0667770-A1 INHIBITION OF TNF PRODUCTION. BRITISH BIOTECH PHARM (GB) 1995-08-23 EP disclosed
WO-1994010990-A1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-05-26 WO disclosed