SCHEMBL13707474

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C(C)(C)C)n3)nc3cc(N(C)C)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.73

▸	PPP3CB	P16298	1/20	0.73

▸	ABCC1	P33527	1/20	0.49

▸	ABCC2	Q92887	1/20	0.49

▸	ABCG2	Q9UNQ0	1/20	0.49

▸	CYP3A4	P08684	1/20	0.42

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
SCHEMBL8250168	0.93	CTSB (0.69)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8251334	0.87	CTSB (0.61)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8251091	0.87	CTSB (0.74)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL14432927	0.86	CTSB (0.74)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13521369	0.86	CTSB (0.73)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8298333	0.86	CTSB (0.68)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL3373234	0.86	CTSB (0.73)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8251365	0.86	CTSB (0.73)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8249995	0.86	CTSB (0.73)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8353717	0.86	CTSB (0.70)	CTSBPPP3CBABCC1ABCC2ABCG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7585845-B2	Hepatitis C inhibitor compounds	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2009-09-08	—	—	US	disclosed
US-7585845-B2	Hepatitis C inhibitor compounds	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2009-09-08	—	—	US	disclosed