SCHEMBL7440531

CCC[C@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC.COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	3/20	0.45

▸	HTT	P42858	1/20	0.44

▸	SMN1; SMN2	Q16637	1/20	0.44

▸	L3MBTL1	Q9Y468	1/20	0.44

▸	PSMB1	P20618	1/20	0.43

▸	PSMB5	P28074	1/20	0.43

▸	PSMB2	P49721	1/20	0.43

▸	BIRC2	Q13490	1/20	0.43

▸	CTSL	P07711	1/20	0.41

▸	ALDH1A1	P00352	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
SCHEMBL5967082	0.95	SMN1; SMN2 (0.47)	RENHTTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5966879	0.94	SMN1; SMN2 (0.48)	HTTSMN1; SMN2L3MBTL1PSMB1PSMB5
SCHEMBL20514983	0.88	SMN1; SMN2 (0.54)	HTTSMN1; SMN2L3MBTL1PSMB1PSMB5
SCHEMBL20514985	0.88	SMN1; SMN2 (0.54)	HTTSMN1; SMN2L3MBTL1PSMB1PSMB5
SCHEMBL7361914	0.88	HTT (0.43)	HTTSMN1; SMN2L3MBTL1PSMB1PSMB5
SCHEMBL5966981	0.87	SMN1; SMN2 (0.49)	HTTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7369161	0.84	LMNA (0.45)	RENHTTSMN1; SMN2L3MBTL1PSMB1
SCHEMBL7366464	0.84	PSEN1 (0.43)	RENHTTSMN1; SMN2L3MBTL1
SCHEMBL5967053	0.84	ALDH1A1 (0.53)	HTTSMN1; SMN2L3MBTL1PSMB1PSMB5
SCHEMBL20515051	0.82	SMN1; SMN2 (0.58)	HTTSMN1; SMN2L3MBTL1ALDH1A1

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
WO-1998022494-A9	METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS	—	1998-08-20	—	—	WO	claimed