SCHEMBL9728253

Cc1cc(O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)O)C(C)(C)S)C(C)(C)S

nearest known ligand 0.59

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	3/20	0.59

▸	CTSS	P25774	7/20	0.45

▸	CTSK	P43235	6/20	0.45

▸	CTSL	P07711	2/20	0.42

▸	CTSB	P07858	2/20	0.41

▸	PPARG	P37231	1/20	0.40

▸	PPARA	Q07869	1/20	0.40

▸	PSMB1	P20618	1/20	0.40

▸	PSMB8	P28062	1/20	0.40

▸	PSMB9	P28065	1/20	0.40

▸	PSMB5	P28074	1/20	0.40

▸	PSMB10	P40306	1/20	0.40

▸	PSMB2	P49721	1/20	0.40

▸	ACE	P12821	1/20	0.40

▸	HDAC8	Q9BY41	1/20	0.39

▸	BCL2	P10415	1/20	0.38

▸	REN	P00797	1/20	0.38

▸	SCN9A	Q15858	1/20	0.38

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
SCHEMBL9727738	0.93	OPRM1 (0.68)	OPRM1CTSSCTSKCTSLCTSB
SCHEMBL9728261	0.90	OPRM1 (0.54)	OPRM1CTSSCTSKCTSLCTSB
SCHEMBL9728255	0.90	OPRM1 (0.54)	OPRM1CTSSCTSKCTSLCTSB
SCHEMBL9497262	0.90	OPRM1 (0.46)	OPRM1CTSSCTSKCTSLCTSB
SCHEMBL9728154	0.88	OPRM1 (0.66)	OPRM1
SCHEMBL9728033	0.88	OPRM1 (0.66)	OPRM1
SCHEMBL9499408	0.84	CTSS (0.53)	CTSSCTSKCTSLCTSBPPARG
SCHEMBL9499402	0.84	CTSS (0.53)	CTSSCTSKCTSLCTSBPPARG
SCHEMBL9727701	0.82	OPRM1 (0.63)	OPRM1CTSSCTSKCTSLCTSB
SCHEMBL9728212	0.82	OPRM1 (0.58)	OPRM1

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-5169833-A	Analgesics	G. D. SEARLE & CO. (US)	1992-12-08	—	—	US	disclosed