SCHEMBL7073460

SCHEMBL7073460

CCC(c1ccccc1)C(CC(=O)NO)C(=O)NC(Cc1ccccc1)C(=S)NCCOCOCCOC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
MMP1 P03956 15/20 0.42
FCER2 P06734 5/20 0.42
BIRC2 Q13490 2/20 0.41
MMP3 P08254 8/20 0.40
MMP8 P22894 7/20 0.40
MMP9 P14780 3/20 0.39
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL7983227 0.81 MMP1 (0.54) MMEMMP1FCER2MMP3MMP8
SCHEMBL7424124 0.74 MMP1 (0.68) MMP1FCER2BIRC2MMP3MMP8
SCHEMBL7068105 0.72 EPHX2 (0.47) MME
SCHEMBL7073462 0.69 HPGD (0.40)
SCHEMBL7135100 0.69 MME (0.48) MMEMMP1FCER2MMP8MMP9
SCHEMBL7424119 0.68 PSMB5 (0.44) MMP1
SCHEMBL8386199 0.67 CTSL (0.62)
SCHEMBL8387494 0.67 CA2 (0.61)
SCHEMBL7069878 0.67 MMP1 (0.34) MMP1MMP3
SCHEMBL7066414 0.66 CTSD (0.44) MME

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