SCHEMBL8211997

SCHEMBL8211997

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA2 P00918 2/20 0.42
MAPK1 P28482 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
BIRC2 Q13490 1/20 0.38

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
SCHEMBL8217092 1.00 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8217091 1.00 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8212022 1.00 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8211296 1.00 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8211994 1.00 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8212020 1.00 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8211299 1.00 GRIK1 (0.45) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8209572 0.98 GRIK1 (0.44) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8212027 0.98 GRIK1 (0.44) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8209570 0.98 GRIK1 (0.44) GRIK1GRIK2SLC1A2SLC1A1CA2

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