SCHEMBL5166690

CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)C2CN(C(=O)OCc3ccccc3)C(=O)N2)C(=O)O)cc1.CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C#N)cc2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB1	P05556	10/20	0.47

▸	ITGA4	P13612	10/20	0.47

▸	CAPN1	P07384	2/20	0.42

▸	HDAC1	Q13547	1/20	0.38

▸	HDAC6	Q9UBN7	1/20	0.38

▸	YAP1	P46937	1/20	0.38

▸	GPR34	Q9UPC5	1/20	0.37

▸	ITGB3	P05106	1/20	0.37

▸	ITGA2B	P08514	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
SCHEMBL5681725	0.86	ITGB1 (0.53)	ITGB1ITGA4CAPN1
SCHEMBL7401957	0.86	ITGB1 (0.43)	ITGB1ITGA4ITGB3ITGA2B
SCHEMBL5679669	0.82	ITGB1 (0.63)	ITGB1ITGA4CAPN1
SCHEMBL5969742	0.79	ITGB1 (0.58)	ITGB1ITGA4CAPN1ITGB3ITGA2B
SCHEMBL5163741	0.79	CAPN1 (0.44)	ITGB1ITGA4CAPN1
Lithium Ion SCHEMBL5166053	0.77	CAPN1 (0.54)	ITGB1ITGA4CAPN1
SCHEMBL5165080	0.77	CAPN1 (0.56)	ITGB1ITGA4CAPN1
SCHEMBL5679763	0.77	ITGB1 (0.55)	ITGB1ITGA4CAPN1
SCHEMBL5693902	0.77	ITGB1 (0.55)	ITGB1ITGA4CAPN1
SCHEMBL5165631	0.76	CAPN1 (0.55)	ITGB1ITGA4CAPN1

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-1763361-A2	STEROID SPARING AGENTS AND THEIR USE	Elan Pharmaceuticals, Inc. (US)	2007-03-21	—	—	EP	disclosed
WO-2005097162-A2	STEROID SPARING AGENTS AND THEIR USE	ELAN PHARMACEUTICALS, INC. (US)	2005-10-20	—	—	WO	disclosed