SCHEMBL8216420

SCHEMBL8216420

CC(C)[C@H]1COC(=O)N1C(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.51
NAAA Q02083 1/20 0.39
ACE P12821 1/20 0.38
STAT3 P40763 1/20 0.37
FAAH O00519 2/20 0.36
IDH1 O75874 5/20 0.36
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL8216419 1.00 IL6ST (0.51) IL6STNAAAACESTAT3FAAH
SCHEMBL8220863 1.00 IL6ST (0.51) IL6STNAAAACESTAT3FAAH
SCHEMBL7277673 0.90 IL6ST (0.52) IL6STNAAASTAT3IDH1
SCHEMBL8554613 0.86 FAAH (0.40) IL6STNAAAACEFAAHKLK7
SCHEMBL8554605 0.86 FAAH (0.40) IL6STNAAAACEFAAHKLK7
SCHEMBL8554608 0.86 FAAH (0.40) IL6STNAAAACEFAAHKLK7
SCHEMBL8218743 0.83 IL6ST (0.52) IL6STSTAT3
SCHEMBL6159291 0.83 IL6ST (0.52) IL6STSTAT3
SCHEMBL8218741 0.83 IL6ST (0.52) IL6STSTAT3
SCHEMBL6159290 0.83 IL6ST (0.52) IL6STSTAT3

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-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 EP disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed