SCHEMBL3398940

CCCSc1nc(N2CCOC(C(=O)O)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3.CCCSc1nc(N2CC[C@H](C(=O)O)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3.O=C(O)CO[C@H]1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(SC3CCCC3)n2)C1

nearest known ligand 0.72

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	HSD11B1	P28845	19/20	0.72

▸	IDH1	O75874	2/20	0.49

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
SCHEMBL1968353	0.85	HSD11B1 (1.00)	HSD11B1IDH1
SCHEMBL2009755	0.85	HSD11B1 (0.74)	HSD11B1IDH1
SCHEMBL2010101	0.85	HSD11B1 (1.00)	HSD11B1IDH1
SCHEMBL1968723	0.85	HSD11B1 (0.74)	HSD11B1IDH1
SCHEMBL1968358	0.85	HSD11B1 (1.00)	HSD11B1IDH1
SCHEMBL2005906	0.85	HSD11B1 (0.74)	HSD11B1IDH1
SCHEMBL1968306	0.84	HSD11B1 (0.75)	HSD11B1IDH1
SCHEMBL1968311	0.84	HSD11B1 (0.75)	HSD11B1IDH1
SCHEMBL1969907	0.84	HSD11B1 (0.75)	HSD11B1IDH1
SCHEMBL1968285	0.83	HSD11B1 (1.00)	HSD11B1IDH1

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-2233480-A1	Chemical compounds	AstraZeneca AB (SE)	2010-09-29	—	—	EP	disclosed