SCHEMBL10274774

CCC(C)(CC(=O)OC(C)(C)C)OCCC(C)(C)N(C)C(=O)c1cccc(SCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SLC34A2	O95436	1/20	0.46

▸	BRAF	P15056	4/20	0.33

▸	TEK	Q02763	6/20	0.33

▸	KDM4E	B2RXH2	2/20	0.33

▸	RAF1	P04049	2/20	0.33

▸	ROCK2	O75116	2/20	0.31

▸	ROCK1	Q13464	2/20	0.31

▸	POLB	P06746	1/20	0.31

▸	KDR	P35968	4/20	0.31

▸	ROS1	P08922	1/20	0.30

▸	LCK	P06239	1/20	0.30

▸	HTR2A	P28223	1/20	0.30

▸	HTR2C	P28335	1/20	0.30

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
SCHEMBL18482253	0.89	SLC34A2 (0.52)	SLC34A2BRAFTEKKDM4ERAF1
SCHEMBL16355204	0.86	SLC34A2 (0.53)	SLC34A2BRAFTEKKDM4ERAF1
SCHEMBL15432720	0.86	SLC34A2 (0.54)	SLC34A2BRAFTEKKDM4ERAF1
SCHEMBL46969	0.84	SLC34A2 (0.54)	SLC34A2BRAFTEKKDM4ERAF1
SCHEMBL46797	0.82	SLC34A2 (0.52)	SLC34A2BRAFTEKKDM4ERAF1
SCHEMBL47715	0.82	SLC34A2 (0.52)	SLC34A2BRAFTEKKDM4ERAF1
SCHEMBL16355205	0.82	SLC34A2 (0.61)	SLC34A2BRAFTEKKDM4ERAF1
SCHEMBL46796	0.82	SLC34A2 (0.52)	SLC34A2BRAFKDM4ERAF1ROCK2
SCHEMBL39793	0.82	SLC34A2 (0.52)	SLC34A2BRAFKDM4ERAF1ROCK2
SCHEMBL15432716	0.82	SLC34A2 (0.62)	SLC34A2BRAFTEKKDM4ERAF1

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
WO-2012006475-A1	COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT	ARDELYX, INC. (US)	2012-01-12	—	—	WO	disclosed