SCHEMBL13271743

O=C(O)c1cc(NC(=S)NC[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CA1	P00915	15/20	0.52

▸	CA2	P00918	15/20	0.52

▸	CA9	Q16790	15/20	0.52

▸	CA12	O43570	7/20	0.52

▸	CA14	Q9ULX7	3/20	0.52

▸	CA7	P43166	2/20	0.51

▸	GJA1	P17302	1/20	0.49

▸	GJB2	P29033	1/20	0.49

▸	ELF3	P78545	1/20	0.47

▸	MED23	Q9ULK4	1/20	0.47

▸	FKBP1A	P62942	1/20	0.46

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
SCHEMBL14417374	0.85	CA9 (0.65)	CA1CA2CA9CA12CA14
SCHEMBL13271745	0.85	CA9 (0.65)	CA1CA2CA9CA12CA14
SCHEMBL17342554	0.84	CA1 (0.63)	CA1CA2CA9CA12CA14
SCHEMBL15314740	0.84	CA1 (0.63)	CA1CA2CA9CA12CA14
SCHEMBL19961993	0.83	CA1 (0.54)	CA1CA2CA9CA12CA14
SCHEMBL19961511	0.80	CA1 (0.57)	CA1CA2CA9CA12CA14
SCHEMBL19961504	0.80	CA1 (0.56)	CA1CA2CA9CA12CA14
SCHEMBL19962810	0.80	CA1 (0.56)	CA1CA2CA9CA12CA14
SCHEMBL12837315	0.77	CA1 (0.52)	CA1CA2CA9CA12CA14
SCHEMBL13449584	0.77	CA1 (0.52)	CA1CA2CA9CA12CA14

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-1809340-B1	STOICHIOMETRICALLY DEFINED DYE-LABELED SUBSTANCES FOR MEASURING THE GLOMERULAR FILTRATION RATE	UNIV RUPRECHT KARLS HEIDELBERG (DE)	2010-07-07	—	—	EP	disclosed