SCHEMBL23766686

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5CCC[C@]5(N)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

nearest known ligand 0.61

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	GPBAR1	Q8TDU6	1/20	0.53

▸	SLC10A1	Q14973	1/20	0.52

▸	CA9	Q16790	1/20	0.52

▸	HSD11B1	P28845	2/20	0.52

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
SCHEMBL12593317	0.84	GPBAR1 (0.58)	GPBAR1SLC10A1
SCHEMBL14135805	0.83	SLC10A1 (0.60)	SLC10A1CA9HSD11B1
SCHEMBL19685628	0.82	SLC10A1 (0.66)	SLC10A1CA9HSD11B1
SCHEMBL22345722	0.81	CA9 (0.69)	SLC10A1CA9
SCHEMBL19338218	0.81	PTPN1 (0.57)	GPBAR1SLC10A1
SCHEMBL23766687	0.81	PTPN1 (0.57)	GPBAR1SLC10A1
SCHEMBL22360570	0.80	ACHE (0.49)	GPBAR1HSD11B1
SCHEMBL26333869	0.79	GPBAR1 (0.41)	GPBAR1SLC10A1
SCHEMBL22360583	0.78	ACHE (0.45)	GPBAR1SLC10A1CA9HSD11B1
SCHEMBL420482	0.77	CA9 (0.49)	SLC10A1CA9HSD11B1

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-2021161206-A1	NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS	HETERO LABS LIMITED (IN)	2021-08-19	—	—	WO	disclosed