SCHEMBL18673304

CNS(=O)(=O)c1ccccc1-n1c(COC(=O)NCCOC(=O)CCC/C=C\C[C@@H]2[C@@H](/C=C/[C@@H](O)COc3cccc(C(F)(F)F)c3)[C@H](O)C[C@@H]2O)nc2cc(C)c(C(=O)OCO/N=[N+](\[O-])N3CCCC3)c(C)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PTGFR	P43088	14/20	0.44

▸	ABCC4	O15439	2/20	0.44

▸	ABCB11	O95342	1/20	0.44

▸	CNR1	P21554	1/20	0.43

▸	CNR2	P34972	1/20	0.43

▸	PTGER3	P43115	4/20	0.42

▸	TBXA2R	P21731	4/20	0.34

▸	PTGER1	P34995	2/20	0.34

▸	THRB	P10828	1/20	0.34

▸	PTGER2	P43116	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
SCHEMBL17694536	0.96	PTGFR (0.45)	PTGFRABCC4ABCB11CNR1CNR2
SCHEMBL17696812	0.82	CNR1 (0.49)	PTGFRABCC4ABCB11CNR1CNR2
SCHEMBL17686189	0.78	PTGFR (0.68)	PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL17686184	0.78	PTGFR (0.68)	PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL17686186	0.78	PTGFR (0.68)	PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL18673303	0.76	CNR1 (0.74)	CNR1CNR2
SCHEMBL17696713	0.73	PTGFR (0.69)	PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL13008203	0.68	PTGFR (0.81)	PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL21546227	0.68	PTGFR (0.74)	PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL12119717	0.68	PTGFR (0.74)	PTGFRABCC4ABCB11PTGER3TBXA2R

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
US-9604949-B2	Prostaglandin conjugates and derivatives for treating glaucoma and ocular hypertension	NOVARTIS AG (CH)	2017-03-28	—	—	US	disclosed