SCHEMBL8408844

C[C@H](CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(=O)CC[C@@H](C)[C@H]1CCC3C4C(C[C@H](O)[C@@]31C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]4O)[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]12)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

nearest known ligand 0.78

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GPBAR1	Q8TDU6	11/20	0.78

▸	CYP3A4	P08684	3/20	0.78

▸	PDE3A	Q14432	1/20	0.78

▸	NR1H4	Q96RI1	1/20	0.78

▸	LMNA	P02545	2/20	0.72

▸	KMT2A	Q03164	3/20	0.72

▸	MEN1	O00255	2/20	0.72

▸	SLCO1B3	Q9NPD5	1/20	0.72

▸	SLCO1B1	Q9Y6L6	1/20	0.72

▸	USP2	O75604	1/20	0.72

▸	ABCB11	O95342	1/20	0.66

▸	ALDH1A1	P00352	1/20	0.66

▸	TDP1	Q9NUW8	1/20	0.66

▸	CYP2C19	P33261	1/20	0.62

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
SCHEMBL25791298	0.97	GPBAR1 (0.83)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL2553341	0.97	GPBAR1 (0.83)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL25791223	0.97	GPBAR1 (0.83)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL23222957	0.97	GPBAR1 (0.83)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL21114412	0.97	GPBAR1 (0.83)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL23231225	0.97	GPBAR1 (0.83)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL437404	0.97	GPBAR1 (0.83)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL10826386	0.96	GPBAR1 (0.82)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL1287858	0.94	GPBAR1 (0.78)	GPBAR1CYP3A4PDE3ANR1H4LMNA
SCHEMBL1758946	0.92	GPBAR1 (0.67)	GPBAR1CYP3A4PDE3ANR1H4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5861437-A	CATIONIC POLYPHENYLENE ETHERS FOR ADSORBING BILE ACIDS AND FOR CHOLESTEROL REDUCTION	KISSEI PHARMACEUTICAL COMPANY, LTD. (JP)	1999-01-19	—	—	US	disclosed
US-4877775-A	CROSSLINKED COPOLYMERS OF AMINOGLYCOSIDIC ANTIBIOTICS DIALDEHYDES	E. I. DU PONT DE NEMOURS AND COMPANY (US)	1989-10-31	—	—	US	disclosed