SCHEMBL8799253

SCHEMBL8799253

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.64
MAPK1 P28482 2/20 0.64
CA1 P00915 6/20 0.61
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
SLC1A3 P43003 1/20 0.44
USP2 O75604 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 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
SCHEMBL8799303 0.93 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL6722538 0.85
2-Ethylhexanoic Acid SCHEMBL29627560 0.81 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL9397691 0.81 CA2 (0.57) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL465030 0.80 CA2 (0.70) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL1987890 0.80 CA2 (0.70) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5158419 0.79 CA2 (0.91) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6275390 0.79 CA2 (0.91) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL26978383 0.79 CA2 (0.91) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL6724904 0.79

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