SCHEMBL7768526

COC(=O)c1cc2cc(OC[C@H]3COC(C)(C)O3)ccc2cc1OC[C@@H]1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1COc1cc2ccc(OC[C@H]3COC(C)(C)O3)cc2cc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK14	Q16539	12/20	0.38

▸	RORC	P51449	1/20	0.35

▸	F2RL3	Q96RI0	1/20	0.34

▸	JAK2	O60674	4/20	0.34

▸	NTRK1	P04629	4/20	0.34

▸	CCNK	O75909	1/20	0.33

▸	CDK12	Q9NYV4	1/20	0.33

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.

Compound	similarity	top predicted	shared targets
SCHEMBL7767000	0.85	KDM4E (0.39)	RORC
SCHEMBL27456767	0.84	MAPK14 (0.42)	MAPK14JAK2NTRK1CCNKCDK12
SCHEMBL8662264	0.84	MAPK14 (0.42)	MAPK14JAK2NTRK1CCNKCDK12
SCHEMBL7768549	0.82	DRD2 (0.37)	RORC
SCHEMBL7767131	0.82	NPC1 (0.37)	RORC
SCHEMBL1587316	0.79	MAPK14 (0.44)	MAPK14
SCHEMBL1587319	0.79	MAPK14 (0.44)	MAPK14
SCHEMBL26428754	0.77	MAPK14 (0.46)	MAPK14CCNKCDK12
SCHEMBL7763882	0.77	ALDH1A1 (0.41)	—
SCHEMBL7767564	0.77	CASP1 (0.43)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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