SCHEMBL7370348

SCHEMBL7370348

CC(C)CC[C@H](O)C(=O)N(O)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.46
MMP3 P08254 6/20 0.46
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.37
FFAR2 O15552 1/20 0.37
SORT1 Q99523 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7410121 0.89 MMP2 (0.47) MMP2MMP3LMNAMMP1SMN1; SMN2
SCHEMBL7371393 0.88 RAB9A (0.43) MMP2MMP3FFAR2SORT1HTT
SCHEMBL7373809 0.82 MMP1 (0.56) MMP2MMP3LMNAFFAR2MMP1
SCHEMBL7513209 0.81 MMP1 (0.44) MMP2MMP3MMP1MMP9
SCHEMBL7410116 0.81 HSPA5 (0.51) TSHRLMNAFFAR2
SCHEMBL7411892 0.80 MMP2 (0.44) MMP2MMP3MMP1
SCHEMBL8777490 0.79 POLB (0.38) MMP2MMP3MMP1MMP9
SCHEMBL6435917 0.79 POLB (0.38) MMP2MMP3MMP1MMP9
SCHEMBL7402956 0.77 POLB (0.45) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL7378206 0.77 FFAR2 (0.43) MAPK1FFAR2HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP claimed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP claimed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed
US-5919940-A TERT-LEUCINE-THIAZOL-2-YLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-07-06 US disclosed
US-5859253-A L-TERT-LEUCINE-2-PYRIDYLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-12 US disclosed
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP disclosed
US-5747514-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-05 US disclosed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed