SCHEMBL7846497

SCHEMBL7846497

CC(C)C[C@@H](C(=O)NN1C(=O)C(=O)N(Cc2ccccc2)C1=O)[C@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.47
MMP13 P45452 2/20 0.47
MMP8 P22894 3/20 0.46
APP P05067 1/20 0.44
ANPEP P15144 1/20 0.41
TSHR P16473 1/20 0.40
MMP3 P08254 7/20 0.40
MMP2 P08253 6/20 0.40
MMP7 P09237 5/20 0.40
FCER2 P06734 1/20 0.40
ADAM17 P78536 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL7840861 1.00 MMP1 (0.47) MMP1MMP13MMP8APPANPEP
SCHEMBL7848057 0.84 ADAM17 (0.52) MMP1MMP13MMP8APPMMP3
SCHEMBL7843217 0.84 ADAM17 (0.52) MMP1MMP13MMP8APPMMP3
SCHEMBL7946731 0.83 APP (0.49) MMP1MMP13MMP8APPANPEP
SCHEMBL7946730 0.83 APP (0.49) MMP1MMP13MMP8APPANPEP
SCHEMBL7960597 0.81 APP (0.46) MMP1MMP13MMP8APPANPEP
SCHEMBL7960594 0.81 APP (0.46) MMP1MMP13MMP8APPANPEP
SCHEMBL7960598 0.81 APP (0.46) MMP1MMP13MMP8APPANPEP
SCHEMBL7960517 0.81 MMP1 (0.49) MMP1MMP13MMP8APPANPEP
SCHEMBL6221555 0.80 MMP1 (0.48) MMP1MMP13MMP8APPANPEP

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 3 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
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed