SCHEMBL7828824

SCHEMBL7828824

CC(C)C[C@@H](C(=O)NN1CC(=O)NC1=O)[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.45
MMP3 P08254 10/20 0.45
MMP7 P09237 8/20 0.45
FCER2 P06734 6/20 0.45
MMP1 P03956 10/20 0.44
MMP8 P22894 3/20 0.44
ADAM17 P78536 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL7835181 0.87 MMP3 (0.39) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7839515 0.82 MMP1 (0.47) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7955135 0.81 ADAM17 (0.55) MMP2MMP3MMP7FCER2MMP1
SCHEMBL13274078 0.81 ADAM17 (0.55) MMP2MMP3MMP7FCER2MMP1
SCHEMBL1844380 0.81 ADAM17 (0.55) MMP2MMP3MMP7FCER2MMP1
SCHEMBL1844385 0.81 ADAM17 (0.55) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7955133 0.81 ADAM17 (0.55) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7955450 0.80 MMP2 (0.47) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7955448 0.80 MMP2 (0.47) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7828238 0.78 MMP1 (0.44) MMP2MMP3MMP7MMP1MMP8

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 4 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 claimed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
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