SCHEMBL7279640

CC(C)[C@H](N)C(=O)N(C(=O)[C@@H](NC(=O)CCCCCNC(=O)OCc1ccccc1)C(C)C)C(c1ccccc1)C(C(O)CCc1ccccc1)N(C(=O)[C@@H](N)C(C)C)C(=O)[C@@H](NC(=O)CCCCC(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	HTT	P42858	1/20	0.41

▸	FOLH1	Q04609	6/20	0.40

▸	PTGER4	P35408	3/20	0.40

▸	SIRT2	Q8IXJ6	4/20	0.39

▸	CPB1	P15086	1/20	0.37

▸	CPB2	Q96IY4	1/20	0.37

▸	ANPEP	P15144	1/20	0.36

▸	SIRT1	Q96EB6	2/20	0.36

▸	SIRT3	Q9NTG7	2/20	0.36

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
SCHEMBL8534863	0.83	HTT (0.47)	HTTFOLH1PTGER4SIRT2CPB1
SCHEMBL8539753	0.78	CTSD (0.39)	HTTFOLH1SIRT2CPB1CPB2
SCHEMBL8534831	0.74	HTT (0.46)	HTTFOLH1PTGER4ANPEP
SCHEMBL7279627	0.73	PTGER4 (0.41)	HTTFOLH1PTGER4ANPEP
SCHEMBL6443882	0.73	HTT (0.56)	HTTFOLH1SIRT2CPB1CPB2
SCHEMBL6443877	0.73	HTT (0.56)	HTTFOLH1SIRT2CPB1CPB2
SCHEMBL6447441	0.72	HTT (0.57)	HTTFOLH1SIRT2CPB1CPB2
SCHEMBL6447440	0.72	HTT (0.57)	HTTFOLH1SIRT2CPB1CPB2
SCHEMBL8534869	0.70	CTSD (0.58)	HTTFOLH1PTGER4
SCHEMBL7268430	0.70	HTT (0.52)	HTTFOLH1SIRT2CPB1CPB2

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-0402646-A1	Retroviral protease inhibiting compounds	ABBOTT LABORATORIES (US)	1990-12-19	—	—	EP	disclosed