SCHEMBL14218503

C=C(C)[C@@H]1CC[C@]2(COC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CETP	P11597	1/20	0.79

▸	PRKCD	Q05655	1/20	0.71

▸	CA9	Q16790	4/20	0.65

▸	SLC10A1	Q14973	1/20	0.60

▸	CA1	P00915	1/20	0.60

▸	CA2	P00918	1/20	0.60

▸	PTPN1	P18031	1/20	0.59

▸	PTGES	O14684	1/20	0.58

▸	NT5E	P21589	3/20	0.56

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
SCHEMBL1867184	0.92	CETP (0.81)	CETPPRKCDCA9SLC10A1CA1
SCHEMBL13573811	0.90	PRKCD (0.79)	CETPPRKCDCA9SLC10A1CA1
SCHEMBL22571027	0.89	CETP (0.70)	CETPPRKCDCA9SLC10A1CA1
SCHEMBL5956741	0.88	CETP (0.82)	CETPPRKCDCA9PTPN1PTGES
SCHEMBL14191493	0.88	CETP (0.70)	CETPPRKCDCA9SLC10A1CA1
SCHEMBL554507	0.87	PRKCD (0.80)	CETPPRKCDCA9SLC10A1CA1
SCHEMBL14108321	0.87	CETP (0.68)	CETPPRKCDCA9SLC10A1CA1
SCHEMBL14191491	0.86	CETP (0.71)	CETPPRKCDCA9SLC10A1CA1
SCHEMBL25815828	0.86	CA9 (0.69)	CETPPRKCDCA9SLC10A1CA1
SCHEMBL25816686	0.86	CA9 (0.69)	CETPPRKCDCA9SLC10A1CA1

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-7365221-B2	Monoacylated betulin and dihydrobetulin derivatives, preparation thereof and use thereof	PANACOS PHARMACEUTICALS, INC. (US)	2008-04-29	—	—	US	disclosed