SCHEMBL4015886

COc1ccc(CCCC(=O)c2ccc(CCC(C)(N)COP(=O)(OCC(C)(N)CCc3ccc(C(=O)CCCc4ccc(OC)cc4)n3C)OCC(C)(N)CCc3ccc(C(=O)CCCc4ccc(OC)cc4)n3C)n2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	S1PR1	P21453	13/20	0.72

▸	S1PR3	Q99500	11/20	0.72

▸	S1PR5	Q9H228	3/20	0.72

▸	S1PR4	O95977	2/20	0.41

▸	ALOX5	P09917	1/20	0.38

▸	CASP3	P42574	1/20	0.35

▸	CASP7	P55210	1/20	0.35

▸	KDM4E	B2RXH2	1/20	0.35

▸	GLA	P06280	1/20	0.35

▸	CASP1	P29466	1/20	0.35

▸	HSD17B10	Q99714	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
SCHEMBL4015891	0.94	S1PR1 (0.83)	S1PR1S1PR3S1PR5S1PR4
SCHEMBL4015779	0.88	S1PR1 (0.71)	S1PR1S1PR3S1PR5S1PR4
SCHEMBL1453217	0.87	S1PR1 (0.61)	S1PR1S1PR3S1PR5S1PR4ALOX5
SCHEMBL386975	0.87	S1PR1 (0.61)	S1PR1S1PR3S1PR5S1PR4ALOX5
SCHEMBL4016195	0.86	S1PR1 (0.71)	S1PR1S1PR3S1PR5S1PR4
SCHEMBL4019428	0.86	S1PR1 (0.73)	S1PR1S1PR3S1PR5S1PR4
SCHEMBL13165802	0.84	S1PR1 (0.58)	S1PR1S1PR3S1PR5S1PR4ALOX5
SCHEMBL385162	0.84	S1PR1 (1.00)	S1PR1S1PR3S1PR5S1PR4
SCHEMBL386170	0.83	S1PR1 (0.84)	S1PR1S1PR3S1PR5S1PR4
SCHEMBL4015784	0.81	S1PR1 (0.81)	S1PR1S1PR3S1PR5S1PR4

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-1471054-B1	AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE	DAIICHI SANKYO CO LTD (JP)	2009-07-01	—	—	EP	claimed