SCHEMBL8799303

SCHEMBL8799303

CCCCCC(CC)C(=O)[S]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
MAPK1 P28482 1/20 0.56
CA1 P00915 6/20 0.54
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42

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
SCHEMBL8799253 0.93 CA2 (0.64) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL9397691 0.88 CA2 (0.57) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL6722538 0.83
SCHEMBL531738 0.81 CA2 (0.60) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL23829870 0.79 CA2 (0.86) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL8606737 0.79 CA2 (0.86) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL29946 0.79 CA2 (0.86) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL2152713 0.79 CA2 (0.58) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL7654397 0.79 CA2 (0.58) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL2937529 0.79 CA2 (0.58) CA2MAPK1CA1GRIK1GRIK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
EP-0460950-B1 Radicicol derivatives, their preparation and their anti-tumour activity SANKYO CO (JP) 1997-03-05 EP disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 EP disclosed