SCHEMBL7401014

SCHEMBL7401014

CC(C[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)[C@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.47
MMP3 P08254 10/20 0.47
MMP1 P03956 5/20 0.47
ADAM17 P78536 7/20 0.45
TNF P01375 2/20 0.44
LTA4H P09960 1/20 0.44
ANPEP P15144 1/20 0.44
MMP9 P14780 3/20 0.44
MMP7 P09237 2/20 0.44
MMP8 P22894 2/20 0.44
MMP20 O60882 1/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP10 P09238 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MMP15 P51511 1/20 0.44
MMP16 P51512 1/20 0.44
MMP25 Q9NPA2 1/20 0.44
MMP26 Q9NRE1 1/20 0.44

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
Hydrochloric Acid SCHEMBL7765095 0.79 MMP2 (0.52) MMP2MMP3MMP1ADAM17TNF
SCHEMBL8887821 0.75 MMP1 (0.76) MMP2MMP3MMP1ADAM17TNF
SCHEMBL8899210 0.75 MMP1 (0.76) MMP2MMP3MMP1ADAM17TNF
SCHEMBL8026514 0.75 MMP1 (0.76) MMP2MMP3MMP1ADAM17TNF
SCHEMBL7371075 0.73 MTOR (0.41)
SCHEMBL20182067 0.73 MEN1 (0.51)
SCHEMBL8026827 0.72 ADAM17 (0.77) MMP2MMP3MMP1ADAM17TNF
SCHEMBL7411892 0.72 MMP2 (0.44) MMP2MMP3MMP1ADAM17TNF
SCHEMBL9287415 0.70 MMP2 (0.70) MMP2MMP3MMP1ADAM17TNF
SCHEMBL6951443 0.69 ADAM17 (0.61) MMP2MMP3MMP1ADAM17TNF

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 6 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-5929093-A PYRIDINIUM ALDOXIME SALTS; ANTIDOTES FOR ORGANOPHOSPHATE POISONING IN MAMMALS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1999-07-27 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