SCHEMBL7768997

SCHEMBL7768997

COC(=O)Oc1cc2cc(OC[C@H]3COC(C)(C)O3)ccc2cc1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.41
CA2 P00918 1/20 0.36
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
JAK2 O60674 3/20 0.35
NTRK1 P04629 3/20 0.35
F2RL3 Q96RI0 1/20 0.34

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
SCHEMBL27456767 0.84 MAPK14 (0.42) MAPK14CA2CCNKCDK12JAK2
SCHEMBL8662264 0.84 MAPK14 (0.42) MAPK14CA2CCNKCDK12JAK2
SCHEMBL1587316 0.79 MAPK14 (0.44) MAPK14
SCHEMBL1587319 0.79 MAPK14 (0.44) MAPK14
SCHEMBL26428754 0.77 MAPK14 (0.46) MAPK14CA2CCNKCDK12
SCHEMBL7768526 0.76 MAPK14 (0.38) MAPK14CCNKCDK12JAK2NTRK1
SCHEMBL1587333 0.74 MAPK14 (0.45) MAPK14CA2CCNKCDK12
SCHEMBL26427763 0.74 MAPK14 (0.46) MAPK14CA2
SCHEMBL1586692 0.74 MAPK14 (0.43) MAPK14CA2CCNKCDK12
SCHEMBL1586695 0.74 MAPK14 (0.43) MAPK14CA2CCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed