SCHEMBL8909816

CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1C#N)CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	4/20	0.39

▸	REN	P00797	7/20	0.39

▸	KMT2A	Q03164	1/20	0.38

▸	CTSS	P25774	6/20	0.37

▸	BACE1	P56817	1/20	0.36

▸	CTSL	P07711	1/20	0.36

▸	CTSB	P07858	1/20	0.36

▸	CTSK	P43235	1/20	0.36

▸	APP	P05067	1/20	0.35

▸	PSEN1	P49768	1/20	0.35

▸	PSEN2	P49810	1/20	0.35

▸	APH1B	Q8WW43	1/20	0.35

▸	NCSTN	Q92542	1/20	0.35

▸	APH1A	Q96BI3	1/20	0.35

▸	PSENEN	Q9NZ42	1/20	0.35

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
SCHEMBL8893176	0.95	CTSS (0.41)	CTSDRENKMT2ACTSSBACE1
SCHEMBL7435576	0.92	CTSD (0.40)	CTSDRENKMT2ACTSSBACE1
SCHEMBL8892505	0.89	CTSD (0.41)	CTSDRENKMT2ACTSSBACE1
SCHEMBL7431468	0.87	CTSS (0.40)	CTSDRENKMT2ACTSSBACE1
SCHEMBL8892626	0.86	REN (0.39)	CTSDRENKMT2ACTSSBACE1
SCHEMBL8893984	0.85	REN (0.39)	CTSDRENKMT2ACTSSBACE1
SCHEMBL8893998	0.85	CTSS (0.39)	CTSDRENKMT2ACTSSBACE1
SCHEMBL8908391	0.84	REN (0.37)	CTSDRENKMT2ACTSSBACE1
SCHEMBL7435623	0.83	PSEN1 (0.40)	CTSDRENKMT2ACTSSBACE1
SCHEMBL7442606	0.83	PSEN1 (0.40)	CTSDRENKMT2ACTSSBACE1

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-5643878-A	TREATMENT OF RETROVIRAL DISEASES LIKE AIDS	CIBA-GEIGY CORPORATION (US)	1997-07-01	—	—	US	disclosed