SCHEMBL7835181

SCHEMBL7835181

CC(C)C[C@@H](C(=O)NN1CC(=O)NC1=O)[C@H](Cc1ccccc1-c1ccccc1)C(=O)NO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.39
MMP2 P08253 12/20 0.39
MMP7 P09237 8/20 0.39
FCER2 P06734 5/20 0.39
MMP1 P03956 13/20 0.39
MMP8 P22894 4/20 0.39
MMP13 P45452 3/20 0.39
MMP9 P14780 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
KMT2A Q03164 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 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
SCHEMBL7828824 0.87 MMP2 (0.45) MMP3MMP2MMP7FCER2MMP1
SCHEMBL7946622 0.81 MMP2 (0.41) MMP3MMP2MMP7FCER2MMP1
SCHEMBL7835182 0.81 MMP2 (0.41) MMP3MMP2MMP7FCER2MMP1
SCHEMBL7946619 0.81 MMP2 (0.41) MMP3MMP2MMP7FCER2MMP1
SCHEMBL13274078 0.80 ADAM17 (0.55) MMP3MMP2MMP7FCER2MMP1
SCHEMBL7955133 0.80 ADAM17 (0.55) MMP3MMP2MMP7FCER2MMP1
SCHEMBL1844385 0.80 ADAM17 (0.55) MMP3MMP2MMP7FCER2MMP1
SCHEMBL7955135 0.80 ADAM17 (0.55) MMP3MMP2MMP7FCER2MMP1
SCHEMBL1844380 0.80 ADAM17 (0.55) MMP3MMP2MMP7FCER2MMP1
SCHEMBL7839515 0.79 MMP1 (0.47) MMP3MMP2MMP7FCER2MMP1

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