SCHEMBL9496752

CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)O)C(C)(C)S

nearest known ligand 0.47

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PPARG	P37231	4/20	0.47

▸	PPARA	Q07869	4/20	0.47

▸	CTSS	P25774	7/20	0.46

▸	CTSK	P43235	6/20	0.46

▸	CTSL	P07711	2/20	0.46

▸	CTSB	P07858	2/20	0.46

▸	REN	P00797	2/20	0.42

▸	ACE	P12821	1/20	0.42

▸	PPARD	Q03181	2/20	0.42

▸	SCN9A	Q15858	1/20	0.42

▸	HDAC8	Q9BY41	1/20	0.42

▸	AKT1	P31749	1/20	0.41

▸	KIF11	P52732	1/20	0.41

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
SCHEMBL9496746	1.00	PPARG (0.47)	PPARGPPARACTSSCTSKCTSL
SCHEMBL9499297	0.94	CTSS (0.52)	PPARGPPARACTSSCTSKCTSL
SCHEMBL9499306	0.94	CTSS (0.52)	PPARGPPARACTSSCTSKCTSL
SCHEMBL9501559	0.92	CTSS (0.52)	PPARGPPARACTSSCTSKCTSL
SCHEMBL9501550	0.92	CTSS (0.52)	PPARGPPARACTSSCTSKCTSL
SCHEMBL29511728	0.90	ACE (0.52)	PPARGPPARACTSSCTSKCTSL
SCHEMBL29511604	0.90	ACE (0.52)	PPARGPPARACTSSCTSKCTSL
SCHEMBL29511703	0.90	PPARG (0.56)	PPARGPPARACTSSCTSKCTSL
SCHEMBL9499402	0.87	CTSS (0.53)	PPARGPPARACTSSCTSKCTSL
SCHEMBL9499408	0.87	CTSS (0.53)	PPARGPPARACTSSCTSKCTSL

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-5216124-A	Analgesics	G. D. SEARLE & CO. (US)	1993-06-01	—	—	US	disclosed