SCHEMBL7068205

SCHEMBL7068205

CC(C)C[C@H](CC(N)=O)C(=O)N(O)[C@@H](CC1CCCCC1)C(=S)NCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.47
MMP2 P08253 14/20 0.47
MMP1 P03956 13/20 0.47
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7066782 0.93 MMP2 (0.46) MMP3MMP2MMP1EPHX2EPHX1
SCHEMBL7067062 0.86 MMP8 (0.43) MMP1EPHX2KMT2A
SCHEMBL7067053 0.78 CNR1 (0.42) EPHX2KMT2A
SCHEMBL7069865 0.78 CNR1 (0.41) EPHX2KMT2A
SCHEMBL7069327 0.76 MMP3 (0.51) MMP3MMP2MMP1EPHX2EPHX1
SCHEMBL7069330 0.76 MMP3 (0.51) MMP3MMP2MMP1EPHX2EPHX1
SCHEMBL7391388 0.74 MMP2 (0.77) MMP3MMP2MMP1
SCHEMBL7070491 0.72 MMP2 (0.42) MMP3MMP2MMP1
SCHEMBL7069869 0.70 MMP3 (0.47) MMP3MMP2MMP1
SCHEMBL27549172 0.69 MMP2 (0.58) MMP3MMP2MMP1

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-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP claimed
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US claimed
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP disclosed