SCHEMBL7405014

SCHEMBL7405014

CC(C)CC[C@H](O)C(=O)N(O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
CAPN1 P07384 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
MMP3 P08254 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 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
SCHEMBL7411865 0.78 MMP2 (0.45) CAPN1LMNAMMP3ALDH1A1MMP1
SCHEMBL20400636 0.75 SMN1; SMN2 (0.56) SMN1; SMN2GAARAB9ACAPN1MAPT
SCHEMBL20400638 0.75 SMN1; SMN2 (0.56) SMN1; SMN2GAARAB9ACAPN1MAPT
SCHEMBL7356614 0.72 MMP2 (0.49) MMEACEMMP3MMP1MMP9
SCHEMBL11438544 0.72 RAB9A (0.56) SMN1; SMN2GAARAB9AMAPTLMNA
SCHEMBL12856153 0.72 CAPN1 (0.53) SMN1; SMN2GAARAB9ACAPN1MAPT
SCHEMBL7410121 0.72 MMP2 (0.47) SMN1; SMN2GAARAB9ACAPN1MAPT
SCHEMBL14382802 0.71 RAB9A (0.64) SMN1; SMN2GAARAB9AMAPTLMNA
SCHEMBL26503510 0.71 RAB9A (0.64) SMN1; SMN2GAARAB9AMAPTLMNA
SCHEMBL2339174 0.70 MMP3 (0.52) SMN1; SMN2GAARAB9AMMP3CYP1A2

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