SCHEMBL8298972

SCHEMBL8298972

C=C(O)C[C@@H](CCCCCCCCCCCCCCCC)C(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.43
MMP3 P08254 10/20 0.43
MMP1 P03956 9/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MMP7 P09237 4/20 0.41

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
SCHEMBL8297616 1.00 MMP2 (0.43) MMP2MMP3MMP1LMNATSHR
SCHEMBL1609320 0.93 MMP2 (0.51) MMP2MMP3MMP1LMNATSHR
SCHEMBL1610156 0.93 MMP2 (0.51) MMP2MMP3MMP1LMNATSHR
SCHEMBL6619964 0.76 TDP1 (0.53) LMNATSHR
SCHEMBL8298145 0.70 MMP12 (0.62) MMP2MMP3MMP1LMNATSHR
SCHEMBL8298940 0.69 MMP2 (0.43) MMP2MMP3MMP1
SCHEMBL14540430 0.69 LMNA (0.39) LMNATSHR
SCHEMBL1609669 0.67 TSHR (0.43) LMNATSHR
SCHEMBL8298149 0.67 MMP12 (0.46) MMP2MMP3MMP1LMNATSHR
SCHEMBL1610131 0.66 TDP1 (0.43) LMNATSHR

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-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP disclosed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO disclosed