SCHEMBL7072801

SCHEMBL7072801

CNC(=S)[C@H](Cc1ccccc1)N(O)C(=O)[C@@H](CC(=O)NO)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.56
MMP9 P14780 8/20 0.56
MMP1 P03956 7/20 0.56
MMP8 P22894 6/20 0.56
FCER2 P06734 4/20 0.56
MMP7 P09237 3/20 0.56
MMP3 P08254 3/20 0.56
MMP12 P39900 2/20 0.53
MMP13 P45452 2/20 0.53
LTA4H P09960 2/20 0.49
BIRC2 Q13490 1/20 0.47
MMP14 P50281 1/20 0.47
MME P08473 1/20 0.46
ANPEP P15144 1/20 0.46
ECE1 P42892 1/20 0.46

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
SCHEMBL7070491 0.88 MMP2 (0.42) MMP2MMP9MMP1MMP8FCER2
SCHEMBL7069869 0.74 MMP3 (0.47) MMP2MMP9MMP1MMP8MMP3
SCHEMBL7073422 0.74 MMP2 (0.50) MMP2MMP9MMP1MMP8FCER2
SCHEMBL7373357 0.73 MMP2 (0.57) MMP2MMP9MMP1MMP8FCER2
SCHEMBL14068117 0.72 MMP2 (0.66) MMP2MMP9MMP1MMP8FCER2
SCHEMBL5502507 0.72 MMP2 (1.00) MMP2MMP9MMP1MMP8FCER2
SCHEMBL7983204 0.72 MMP1 (0.58) MMP2MMP9MMP1MMP8FCER2
SCHEMBL7983199 0.72 MMP1 (0.58) MMP2MMP9MMP1MMP8FCER2
SCHEMBL6271207 0.68 MMP9 (0.72) MMP2MMP9MMP1MMP8FCER2
SCHEMBL10424074 0.68 MMP1 (0.51) MMP2MMP9MMP1MMP8FCER2

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 1 patent. 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 disclosed