SCHEMBL8896478

CC(C)C(NC(=O)C(Cc1ccc(F)cc1)CC(OC(=O)COCc1ccccc1)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	1/20	0.39

▸	REN	P00797	3/20	0.39

▸	PSEN1	P49768	2/20	0.38

▸	PSEN2	P49810	2/20	0.38

▸	APH1B	Q8WW43	2/20	0.38

▸	NCSTN	Q92542	2/20	0.38

▸	APH1A	Q96BI3	2/20	0.38

▸	PSENEN	Q9NZ42	2/20	0.38

▸	APP	P05067	1/20	0.38

▸	BACE1	P56817	5/20	0.38

▸	CTSD	P07339	2/20	0.38

▸	CTSS	P25774	3/20	0.37

▸	KMT2A	Q03164	1/20	0.37

▸	CTSK	P43235	1/20	0.37

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
SCHEMBL8894905	0.94	REN (0.41)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL8893758	0.94	REN (0.41)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL8893045	0.93	CASP3 (0.38)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL8894797	0.93	KMT2A (0.38)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL8894487	0.92	REN (0.40)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL8893662	0.91	REN (0.41)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL8893723	0.91	REN (0.44)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL8893315	0.88	REN (0.39)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL7435623	0.88	PSEN1 (0.40)	CASP3RENPSEN1PSEN2APH1B
SCHEMBL7442606	0.88	PSEN1 (0.40)	CASP3RENPSEN1PSEN2APH1B

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