SCHEMBL4734798

CCC1(C(CC=C[C@@H]2[C@@H](CC=CCCCC(=O)O)[C@@H](OS(C)(=O)=O)C[C@H]2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PTGER2	P43116	2/20	0.47

▸	PTGIR	P43119	2/20	0.47

▸	PTGER1	P34995	3/20	0.39

▸	PTGER3	P43115	3/20	0.39

▸	PTGER4	P35408	2/20	0.39

▸	PDE4D	Q08499	1/20	0.36

▸	TBXA2R	P21731	4/20	0.34

▸	ALDH1A1	P00352	2/20	0.34

▸	LMNA	P02545	2/20	0.34

▸	PTGFR	P43088	2/20	0.34

▸	PTGDR	Q13258	1/20	0.34

▸	SLCO2A1	Q92959	1/20	0.34

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
SCHEMBL4734793	1.00	PTGER2 (0.47)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL4734797	1.00	PTGER2 (0.47)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL2053225	0.93	PDE4D (0.42)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL2053223	0.93	PDE4D (0.42)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL2053227	0.93	PDE4D (0.42)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL1111542	0.93	PDE4D (0.42)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL8092628	0.90	PTGER2 (0.48)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL8079368	0.89	PTGER2 (0.54)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL7583983	0.89	PTGER2 (0.54)	PTGER2PTGIRPTGER1PTGER3PTGER4
SCHEMBL7592328	0.88	PTGER2 (0.42)	PTGER2PTGIRPTGER1PTGER3PTGER4

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-2008073752-A2	CYCLOBUTYL DERIVATIVES FOR THE TREATMENT OF GLAUCOMA	ALLERGAN, INC. (US)	2008-06-19	—	—	WO	disclosed