SCHEMBL5686901

CCOC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)CC(OCC)OCC)[C@@H](C)CC

nearest known ligand 0.46

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	4/20	0.46

▸	CTSD	P07339	3/20	0.43

▸	CTSK	P43235	3/20	0.42

▸	CTSB	P07858	2/20	0.42

▸	HLA-DRB1	P01911	1/20	0.41

▸	CASP1	P29466	1/20	0.40

▸	CTSS	P25774	1/20	0.40

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
SCHEMBL5686572	0.92	CASP1 (0.43)	RENCTSDCTSKCTSBCASP1
SCHEMBL5686581	0.92	CASP1 (0.43)	RENCTSDCTSKCTSBCASP1
SCHEMBL7198017	0.92	REN (0.46)	RENCTSDCTSKCTSBHLA-DRB1
SCHEMBL5686703	0.92	REN (0.42)	RENCTSDCTSKCTSB
SCHEMBL5689425	0.86	CASP1 (0.49)	RENCTSDCTSKHLA-DRB1CASP1
SCHEMBL5687272	0.78	ACE (0.51)	RENCTSDCTSKCTSBHLA-DRB1
SCHEMBL5686736	0.78	CTSB (0.50)	RENCTSDCTSKCTSBHLA-DRB1
SCHEMBL5687263	0.78	ACE (0.51)	RENCTSDCTSKCTSBHLA-DRB1
SCHEMBL5686722	0.78	CTSB (0.50)	RENCTSDCTSKCTSBHLA-DRB1
SCHEMBL5686900	0.78	CASP1 (0.50)	RENCTSDCTSKCTSBHLA-DRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0979241-B1	(3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA	IVAX DRUG RES INST LTD (HU)	2006-03-01	—	—	EP	disclosed
US-6593300-B1	Inhibitors of the interleukin-1 beta converting enzyme	GYOGYSZERKUTATO INTEZET KFT. (HU)	2003-07-15	—	—	US	disclosed