SCHEMBL14623167

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)NC(C(=O)O)CCCOc5cccc(c5)C[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.38

▸	PSMB5	P28074	6/20	0.36

▸	CTSD	P07339	8/20	0.34

▸	BACE1	P56817	8/20	0.34

▸	ADRB3	P13945	1/20	0.34

▸	ADRA2B	P18089	1/20	0.34

▸	ADRA2C	P18825	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	ITGB1	P05556	1/20	0.31

▸	ITGA2	P17301	1/20	0.31

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
SCHEMBL14623156	0.93	CTSB (0.37)	CTSBPSMB5CTSDBACE1ADRB3
SCHEMBL5321328	0.79	CTSB (0.37)	CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL5321335	0.79	CTSB (0.37)	CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL1942940	0.79	ADRB3 (0.47)	CTSBBACE1ADRB3ADRA2BADRA2C
SCHEMBL1941411	0.79	ADRB3 (0.47)	CTSBBACE1ADRB3ADRA2BADRA2C
SCHEMBL14598566	0.79	ADRB3 (0.47)	CTSBBACE1ADRB3ADRA2BADRA2C
SCHEMBL14624764	0.78	CAPN2 (0.35)	CTSBPSMB5
SCHEMBL14623162	0.77	PSMB5 (0.47)	PSMB5ITGB1ITGA2
SCHEMBL1942574	0.76	CTSB (0.39)	CTSBKDM4EALDH1A1SMN1; SMN2
SCHEMBL1942057	0.75	CTSB (0.55)	CTSBADRB3ADRA2BADRA2CKDM4E

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-2007001406-A2	ARYL-CONTAINING MACROCYCLIC COMPOUNDS	CHIRON CORPORATION (US)	2007-01-04	—	—	WO	disclosed