SCHEMBL7765867

SCHEMBL7765867

CC(C)C[C@@H](C(=O)O)C(CCCN1C(=O)N(C)C(C)(C)C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MMP1 P03956 5/20 0.41
MMP13 P45452 5/20 0.41
MMP8 P22894 2/20 0.41
MMP3 P08254 5/20 0.40
MMP7 P09237 1/20 0.40
MMP14 P50281 1/20 0.40
PLA2G7 Q13093 2/20 0.34
ADAM17 P78536 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32

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
SCHEMBL7765858 1.00 MMP2 (0.41) MMP2MMP9MMP1MMP13MMP8
SCHEMBL7078766 0.84 MMP2 (0.36) MMP2MMP9MMP1MMP13MMP8
SCHEMBL7368800 0.77 MMP1 (0.37) MMP2MMP9MMP1MMP13MMP8
SCHEMBL7221727 0.77 MMP2 (0.37) MMP2MMP9MMP1MMP13MMP8
SCHEMBL7078769 0.76 MMP2 (0.36) MMP2MMP9MMP1MMP13MMP8
SCHEMBL7765827 0.74 CYP1A2 (0.37)
SCHEMBL7765830 0.74 CYP1A2 (0.37)
SCHEMBL7215123 0.73 MMP2 (0.35) MMP2MMP9MMP1MMP13MMP8
SCHEMBL5679507 0.73 CPB2 (0.37)
SCHEMBL7977210 0.73 MEN1 (0.35)

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-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed