SCHEMBL1237981

CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO

nearest known ligand 0.67

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	IL1RN	P18510	8/20	0.67

▸	ERAP2	Q6P179	8/20	0.67

▸	MMP1	P03956	7/20	0.58

▸	MMP2	P08253	2/20	0.57

▸	MMP8	P22894	2/20	0.57

▸	ERAP1	Q9NZ08	1/20	0.57

▸	NMBR	P28336	2/20	0.57

▸	MMP9	P14780	1/20	0.56

▸	TACR1	P25103	1/20	0.56

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
SCHEMBL14486061	0.93	IL1RN (0.62)	IL1RNERAP2MMP1MMP2MMP8
SCHEMBL29531545	0.87	ERAP2 (0.73)	IL1RNERAP2ERAP1
SCHEMBL29531276	0.87	ERAP2 (0.73)	IL1RNERAP2ERAP1
SCHEMBL30051546	0.87	ERAP2 (0.73)	IL1RNERAP2ERAP1
SCHEMBL30051905	0.87	ECE1 (0.69)	IL1RNERAP2MMP1MMP2MMP8
SCHEMBL29538468	0.86	ERAP2 (0.69)	IL1RNERAP2ERAP1
Hydrochloric Acid SCHEMBL8613789	0.86	NMBR (0.65)	IL1RNERAP2MMP2MMP8ERAP1
SCHEMBL31247322	0.85	ERAP2 (0.66)	IL1RNERAP2ERAP1
SCHEMBL30052459	0.85	ECE1 (0.61)	IL1RNERAP2MMP1MMP2MMP8
SCHEMBL30051718	0.84	ERAP2 (0.64)	IL1RNERAP2ERAP1

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
WO-2011017537-A2	HIGH THROUGHPUT SCREEN FOR MEASURING MEMBRANE EFFECTS	CORNELL UNIVERSITY (US)	2011-02-10	—	—	WO	disclosed