SCHEMBL7764984

SCHEMBL7764984

CC[C@@H](c1ccc(OC)cc1)C(CC(=O)NO)C(=O)N[C@H](C(N)=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.48
MMP1 P03956 10/20 0.48
MMP2 P08253 6/20 0.48
MMP13 P45452 2/20 0.48
ADAM17 P78536 2/20 0.48
TNF P01375 1/20 0.48
FCER2 P06734 2/20 0.42
MMP9 P14780 1/20 0.42
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL6417772 1.00 MMP3 (0.48) MMP3MMP1MMP2MMP13ADAM17
SCHEMBL6413230 0.88 MMP3 (0.45) MMP3MMP1MMP2ADAM17TNF
SCHEMBL8665728 0.87 MMP3 (0.44) MMP3MMP1MMP2FCER2MMP9
SCHEMBL8667836 0.87 FCER2 (0.48) MMP3MMP1MMP2FCER2MMP9
SCHEMBL8664100 0.87 MMP2 (0.49) MMP3MMP1MMP2ADAM17TNF
SCHEMBL6418840 0.85 FCER2 (0.40) MMP3MMP1MMP2FCER2MMP9
SCHEMBL6412000 0.85 FCER2 (0.44) MMP3MMP1MMP2FCER2MMP9
SCHEMBL8663575 0.80 MMP3 (0.46) MMP3MMP1MMP2MMP13ADAM17
SCHEMBL8668754 0.78 MMP3 (0.58) MMP3MMP1MMP2MMP13ADAM17
SCHEMBL8665565 0.77 MMP3 (0.56) MMP3MMP1MMP2MMP13ADAM17

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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed