SCHEMBL18901009

COCC(COC(=O)CCc1cc(C(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GAA	P10253	6/20	0.44

▸	KMT2A	Q03164	3/20	0.42

▸	MEN1	O00255	2/20	0.38

▸	HMGCR	P04035	2/20	0.37

▸	TRPA1	O75762	1/20	0.36

▸	ALOX5	P09917	1/20	0.35

▸	VCAM1	P19320	1/20	0.35

▸	HTT	P42858	2/20	0.35

▸	PKM	P14618	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	AGTR1	P30556	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

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
SCHEMBL14018535	0.95	GAA (0.48)	GAAKMT2AMEN1HMGCRTRPA1
SCHEMBL12641024	0.91	GAA (0.52)	GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL23759844	0.91	GAA (0.52)	GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL9419534	0.87	GAA (0.55)	GAAKMT2AMEN1HMGCRTRPA1
SCHEMBL13361942	0.86	GAA (0.48)	GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL30209	0.85	GAA (0.57)	GAAKMT2AMEN1HMGCRALOX5
SCHEMBL24221068	0.84	GAA (0.43)	GAAKMT2AMEN1HMGCRVCAM1
SCHEMBL20200273	0.84	GAA (0.43)	GAAKMT2AMEN1HMGCRTRPA1
SCHEMBL29923229	0.84	GAA (0.56)	GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL29764272	0.84	GAA (0.56)	GAAKMT2AMEN1ALOX5VCAM1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2677019-B1	LIQUID CRYSTALLINE MEDIUM	MERCK PATENT GMBH (DE)	2017-05-31	—	—	EP	disclosed