SCHEMBL9011684

COCOc1ccc(C[C@H](N)[C@@H](O)[C@H](O)[C@H](Cc2ccc(OCOC)cc2)N(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	LTA4H	P09960	2/20	0.48

▸	CTSD	P07339	2/20	0.45

▸	CTSL	P07711	2/20	0.45

▸	CTSB	P07858	2/20	0.45

▸	CTSS	P25774	2/20	0.45

▸	CTSK	P43235	2/20	0.45

▸	LAP3	P28838	1/20	0.45

▸	ITGB3	P05106	6/20	0.41

▸	ITGA2B	P08514	6/20	0.41

▸	CA2	P00918	1/20	0.40

▸	CA5A	P35218	1/20	0.40

▸	BACE1	P56817	1/20	0.39

▸	MEN1	O00255	1/20	0.39

▸	LMNA	P02545	1/20	0.39

▸	KMT2A	Q03164	1/20	0.39

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
SCHEMBL9011676	0.90	CTSL (0.53)	CTSDCTSLCTSBCTSSCTSK
SCHEMBL9011720	0.90	CTSL (0.53)	CTSDCTSLCTSBCTSSCTSK
SCHEMBL9011935	0.89	CTSL (0.50)	LTA4HCTSDCTSLCTSBCTSS
SCHEMBL9011900	0.76	CTSL (0.49)	CTSDCTSLCTSBCTSSCTSK
SCHEMBL9011687	0.76	CTSL (0.49)	CTSDCTSLCTSBCTSSCTSK
SCHEMBL9011869	0.76	CTSL (0.49)	CTSLCTSBCTSSCTSKMEN1
SCHEMBL9011683	0.75	CTSL (0.48)	CTSDCTSLCTSBCTSSCTSK
SCHEMBL7342149	0.73	CTSD (0.68)	CTSDCTSLCTSSCA2CA5A
SCHEMBL6448595	0.72	CTSD (0.69)	CTSDCTSLCTSBCTSSCTSK
SCHEMBL9012035	0.72	CTSL (0.46)	CTSDCTSLCTSBCTSSCTSK

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-5545750-A	TREATING HUMAN IMMUNODEFICIENCY VIRUS	ABBOTT LABORATORIES (US)	1996-08-13	—	—	US	disclosed