SCHEMBL8216245

SCHEMBL8216245

CCCCCC[C@H](CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.55
MMP1 P03956 4/20 0.55
MMP3 P08254 4/20 0.55
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
CETP P11597 3/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BIRC2 Q13490 1/20 0.46

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
SCHEMBL8209053 1.00 MMP2 (0.55) MMP2MMP1MMP3MMP9MMP12
SCHEMBL8221230 1.00 MMP2 (0.55) MMP2MMP1MMP3MMP9MMP12
SCHEMBL8216244 1.00 MMP2 (0.55) MMP2MMP1MMP3MMP9MMP12
SCHEMBL8221233 1.00 MMP2 (0.55) MMP2MMP1MMP3MMP9MMP12
SCHEMBL8216769 1.00 MMP2 (0.55) MMP2MMP1MMP3MMP9MMP12
SCHEMBL8216771 1.00 MMP2 (0.55) MMP2MMP1MMP3MMP9MMP12
SCHEMBL8209054 1.00 MMP2 (0.55) MMP2MMP1MMP3MMP9MMP12
SCHEMBL8209047 0.99 MMP2 (0.53) MMP2MMP1MMP3MMP9MMP12
SCHEMBL8209048 0.99 MMP2 (0.53) MMP2MMP1MMP3MMP9MMP12
SCHEMBL19024799 0.91 CETP (0.54) CETPALDH1A1CYP3A4TSHRMAPK1

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