SCHEMBL177394

CC(C)N(Cc1ccc(-c2ccc(CN(C)CC(=O)O)cc2)cc1)c1ccc(F)cc1.COc1cccc(N(C)S(=O)(=O)c2ccc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	S1PR1	P21453	7/20	0.61

▸	TAS2R14	Q9NYV8	1/20	0.39

▸	S1PR5	Q9H228	4/20	0.38

▸	KEAP1	Q14145	3/20	0.37

▸	NFE2L2	Q16236	3/20	0.37

▸	NPSR1	Q6W5P4	1/20	0.37

▸	MAPT	P10636	1/20	0.37

▸	ABCB1	P08183	1/20	0.36

▸	S1PR3	Q99500	3/20	0.36

▸	PTGDR2	Q9Y5Y4	1/20	0.36

▸	NR1H2	P55055	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
SCHEMBL177393	0.90	S1PR1 (0.53)	S1PR1TAS2R14NPSR1MAPTABCB1
SCHEMBL177392	0.89	S1PR1 (0.57)	S1PR1TAS2R14S1PR5NPSR1MAPT
SCHEMBL177154	0.84	S1PR5 (0.49)	S1PR1TAS2R14S1PR5ABCB1
SCHEMBL177204	0.78	S1PR1 (1.00)	S1PR1S1PR5S1PR3
SCHEMBL177470	0.77	HSD17B1 (0.42)	S1PR1MAPTABCB1
SCHEMBL177322	0.73	S1PR1 (0.59)	S1PR1MAPT
SCHEMBL178252	0.73	S1PR1 (0.79)	S1PR1S1PR5
SCHEMBL15512145	0.71	HSD17B1 (0.41)	TAS2R14MAPT
SCHEMBL3036912	0.69	S1PR5 (0.64)	S1PR1S1PR5MAPT
SCHEMBL177596	0.67	S1PR1 (0.53)	S1PR1NPSR1MAPT

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-2344484-A1	S1P RECEPTORS MODULATORS AND THEIR USE THEREOF	Akaal Pharma Pty Ltd (AU)	2011-07-20	—	—	EP	claimed
WO-2010043000-A1	S1P RECEPTORS MODULATORS AND THEIR USE THEREOF	AKAAL PHARMA PTY LTD (AU)	2010-04-22	—	—	WO	claimed