SCHEMBL9741196

CC(C)[C@H](N)C(=O)N(C(=O)OCc1ccncc1)[C@@H](Cc1ccccc1)C(O)C(O)[C@H](Cc1ccccc1)N(C(=O)OCc1ccncc1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ABCB1	P08183	2/20	0.43

▸	SLC15A1	P46059	2/20	0.43

▸	ALDH1A1	P00352	1/20	0.39

▸	CYP3A4	P08684	1/20	0.39

▸	POLB	P06746	1/20	0.39

▸	BACE1	P56817	1/20	0.37

▸	LTA4H	P09960	2/20	0.37

▸	LMNA	P02545	1/20	0.37

▸	LAP3	P28838	1/20	0.37

▸	MAOB	P27338	1/20	0.37

▸	NPY5R	Q15761	1/20	0.36

▸	CTSB	P07858	1/20	0.35

▸	HPGD	P15428	1/20	0.35

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
SCHEMBL6448984	1.00	ABCB1 (0.43)	ABCB1SLC15A1ALDH1A1CYP3A4POLB
SCHEMBL6454316	1.00	ABCB1 (0.43)	ABCB1SLC15A1ALDH1A1CYP3A4POLB
SCHEMBL7268569	0.99	ABCB1 (0.44)	ABCB1SLC15A1ALDH1A1CYP3A4POLB
SCHEMBL9741503	0.90	LMNA (0.47)	ABCB1SLC15A1CYP3A4LMNACTSB
SCHEMBL6449476	0.90	LMNA (0.47)	ABCB1SLC15A1CYP3A4LMNACTSB
SCHEMBL6446316	0.90	LMNA (0.47)	ABCB1SLC15A1CYP3A4LMNACTSB
SCHEMBL6448340	0.90	LMNA (0.47)	ABCB1SLC15A1CYP3A4LMNACTSB
SCHEMBL7268965	0.89	CYP3A4 (0.46)	ABCB1SLC15A1CYP3A4LMNACTSB
SCHEMBL9742860	0.86	LMNA (0.44)	ABCB1SLC15A1CYP3A4LTA4HLMNA
SCHEMBL6447683	0.86	LMNA (0.44)	ABCB1SLC15A1CYP3A4LTA4HLMNA

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-5142056-A	Human immunodeficiency virus protease inhibitor	ABBOTT LABORATORIES (US)	1992-08-25	—	—	US	disclosed