SCHEMBL8258176

SCHEMBL8258176

CC(C)(Sc1cc(C(C)(C)C)c(OC(=O)CCC=O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 0.77
ALOX15 P16050 4/20 0.39
HPN P05981 1/20 0.39
MAPT P10636 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32

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
SCHEMBL8100563 0.92 VCAM1 (0.90) VCAM1ALOX15HPNMAPTSIRT5
Succinobucol SCHEMBL347492 0.87 VCAM1 (1.00) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL25639629 0.87 VCAM1 (0.81) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL13260389 0.87 VCAM1 (0.81) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL6054982 0.81 VCAM1 (0.92) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL19220490 0.81 VCAM1 (0.71) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12103783 0.80 VCAM1 (0.69) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8353431 0.80 VCAM1 (0.82) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL7568308 0.80 VCAM1 (1.00) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12109918 0.79 VCAM1 (0.68) VCAM1ALOX15HPNMAPTSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006116038-A2 PROCESS FOR THE SEPARATION OF PROBUCOL DERIVATIVES ATHEROGENICS, INC. (US) 2006-11-02 WO disclosed