SCHEMBL7840445

SCHEMBL7840445

CC(C)C[C@@H](C(N)=O)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.46
MMP13 P45452 1/20 0.46
MMP2 P08253 8/20 0.42
MMP3 P08254 7/20 0.42
APP P05067 1/20 0.37
EPHX2 P34913 2/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36

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
SCHEMBL6983815 0.89 MMP1 (0.41) MMP1MMP13MMP2MMP3APP
SCHEMBL4290067 0.88 MMP2 (0.41) MMP1MMP2MMP3EPHX2
SCHEMBL6942326 0.86 MMP1 (0.39) MMP1MMP13MMP2MMP3APP
SCHEMBL6940058 0.85 CTSK (0.38) MMP1MMP13MMP2MMP3
SCHEMBL6221034 0.84 MMP1 (0.38) MMP1MMP13MMP2MMP3APP
SCHEMBL6986871 0.83 MMP1 (0.37) MMP1MMP13MMP2MMP3APP
SCHEMBL7835338 0.83 MMP1 (0.37) MMP1MMP13MMP2MMP3APP
SCHEMBL7478743 0.83 MMP2 (0.39) MMP1MMP2MMP3
SCHEMBL7960600 0.82 MMP1 (0.37) MMP1MMP13MMP2MMP3APP
SCHEMBL7828836 0.82 MMP1 (0.37) MMP1MMP13MMP2MMP3APP

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-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed