SCHEMBL16016334

O=C(CCCc1ccc(I)cc1)NCCCC[C@@H](NC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ALB	P02768	8/20	1.00

▸	FOLH1	Q04609	3/20	0.60

▸	ESR1	P03372	1/20	0.51

▸	SLC5A2	P31639	1/20	0.50

▸	CA9	Q16790	2/20	0.47

▸	AVPR2	P30518	1/20	0.47

▸	OXTR	P30559	1/20	0.47

▸	AVPR1A	P37288	1/20	0.47

▸	HTRA2	O43464	3/20	0.47

▸	HTRA1	Q92743	3/20	0.47

▸	CA12	O43570	1/20	0.47

▸	CA1	P00915	1/20	0.47

▸	CA2	P00918	1/20	0.47

▸	CA7	P43166	1/20	0.47

▸	CA14	Q9ULX7	1/20	0.47

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
SCHEMBL17897315	0.82	ALB (0.69)	ALBFOLH1ESR1SLC5A2CA9
SCHEMBL14419818	0.80	ALB (0.67)	ALBFOLH1SLC5A2CA9HTRA2
SCHEMBL23941135	0.80	ALB (0.66)	ALBFOLH1ESR1SLC5A2CA9
SCHEMBL13066102	0.79	ALB (0.65)	ALBFOLH1SLC5A2CA9HTRA2
SCHEMBL13024620	0.78	ALB (0.64)	ALBFOLH1SLC5A2CA9HTRA2
SCHEMBL14415051	0.78	ALB (0.64)	ALBFOLH1SLC5A2CA9HTRA2
SCHEMBL14597221	0.77	ALB (0.63)	ALBFOLH1SLC5A2CA9HTRA2
SCHEMBL22384710	0.77	FOLH1 (0.63)	ALBFOLH1ESR1SLC5A2CA9
SCHEMBL800324	0.77	ALB (0.61)	ALBFOLH1ESR1SLC5A2CA9
SCHEMBL16295184	0.76	FOLH1 (0.68)	ALBFOLH1ESR1SLC5A2CA9

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-2094647-B1	ALBUMIN BINDING MOLECULES AND USES THEREOF	PHILOCHEM AG (CH)	2014-09-10	—	—	EP	disclosed