SCHEMBL8216233

SCHEMBL8216233

CC(C)C[C@H](CC(=O)OCC(Cl)(Cl)Cl)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.47
HSD17B10 Q99714 1/20 0.45
CTSK P43235 5/20 0.42
CTSB P07858 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL8216230 1.00 SLC15A1 (0.47) SLC15A1HSD17B10CTSKCTSBALDH1A1
SCHEMBL27556472 0.88 SLC15A1 (0.58) SLC15A1HSD17B10CTSKCTSBALDH1A1
SCHEMBL27556474 0.88 SLC15A1 (0.58) SLC15A1HSD17B10CTSKCTSBALDH1A1
SCHEMBL8209349 0.84 SLC15A1 (0.43) SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL8209351 0.84 SLC15A1 (0.43) SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL6576006 0.83 HSD17B10 (0.52) SLC15A1HSD17B10CTSKCTSBALDH1A1
SCHEMBL6447818 0.82 MAPT (0.48) SLC15A1HSD17B10CTSKCTSBALDH1A1
SCHEMBL8038393 0.82 MAPT (0.48) SLC15A1HSD17B10CTSKCTSBALDH1A1
SCHEMBL8219642 0.82 SLC15A1 (0.42) SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL8219637 0.82 SLC15A1 (0.42) SLC15A1ALDH1A1MAPK1L3MBTL1

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