SCHEMBL7925314

C=CCCCO[C@H](C)C(=O)N1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)N[C@]1(C(=O)O)C[C@H]1C=C

nearest known ligand 0.57

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.52

▸	PPP3CB	P16298	1/20	0.52

▸	CTSS	P25774	1/20	0.39

▸	ABCC1	P33527	1/20	0.38

▸	ABCC2	Q92887	1/20	0.38

▸	ABCG2	Q9UNQ0	1/20	0.38

▸	CYP3A4	P08684	1/20	0.37

▸	ADRB3	P13945	1/20	0.34

▸	ADRA2B	P18089	1/20	0.34

▸	ADRA2C	P18825	1/20	0.34

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
SCHEMBL9978928	0.92	CTSB (0.52)	CTSBPPP3CBCTSSABCC1ABCC2
SCHEMBL9978932	0.92	CTSB (0.52)	CTSBPPP3CBCTSSABCC1ABCC2
SCHEMBL1688355	0.87	CTSB (0.53)	CTSBPPP3CBCTSSABCC1ABCC2
SCHEMBL9978834	0.85	CTSB (0.47)	CTSBPPP3CBCTSSABCC1ABCC2
SCHEMBL9978829	0.85	CTSB (0.47)	CTSBPPP3CBCTSSABCC1ABCC2
SCHEMBL9978753	0.84	CTSB (0.52)	CTSBPPP3CBCTSSABCC1ABCC2
SCHEMBL9978756	0.84	CTSB (0.52)	CTSBPPP3CBCTSSABCC1ABCC2
SCHEMBL9978732	0.84	CTSB (0.48)	CTSBPPP3CBCTSSABCC1ABCC2
SCHEMBL9978806	0.84	CTSS (0.47)	CTSBPPP3CBCTSSCYP3A4
SCHEMBL9978716	0.84	CTSS (0.48)	CTSBPPP3CBCTSSCYP3A4

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-2010033466-A1	MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE	PHENOMIX CORPORATION (US)	2010-03-25	—	—	WO	disclosed