SCHEMBL19445624

NCCCC[C@H](NC(=O)c1cc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)C3CC(NC(=O)[C@@H](N)CCCCN)=CC=C3O)ccc2O)ccc1O)C(=O)Nc1ccc(O)c(C(N)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KLKB1	P03952	1/20	0.36

▸	PLG	P00747	1/20	0.36

▸	ERAP2	Q6P179	8/20	0.34

▸	LNPEP	Q9UIQ6	6/20	0.34

▸	ERAP1	Q9NZ08	4/20	0.34

▸	TERT	O14746	3/20	0.34

▸	LTA4H	P09960	1/20	0.34

▸	MMP2	P08253	1/20	0.33

▸	MMP9	P14780	1/20	0.33

▸	F2	P00734	1/20	0.32

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
SCHEMBL19445622	0.86	ERAP2 (0.43)	ERAP2LNPEPERAP1TERTLTA4H
SCHEMBL19445846	0.80	ERAP2 (0.44)	ERAP2LNPEPERAP1LTA4H
SCHEMBL10262149	0.77	ERAP2 (0.43)	KLKB1ERAP2LNPEPERAP1TERT
SCHEMBL19445703	0.75	ERAP2 (0.38)	ERAP2LNPEPERAP1TERTLTA4H
SCHEMBL19219894	0.73	ERAP2 (0.41)	KLKB1ERAP2LNPEPERAP1TERT
SCHEMBL19445847	0.73	ERAP2 (0.45)	ERAP2LNPEPERAP1LTA4HMMP2
SCHEMBL13973855	0.72	ERAP2 (0.39)	KLKB1ERAP2LNPEPERAP1LTA4H
Delparantag SCHEMBL10260914	0.72	ERAP2 (0.47)	KLKB1ERAP2LNPEPERAP1TERT
Delparantag SCHEMBL19445838	0.72	ERAP2 (0.47)	KLKB1ERAP2LNPEPERAP1TERT
SCHEMBL15138936	0.72	ERAP2 (0.47)	KLKB1ERAP2LNPEPERAP1TERT

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
EP-2709619-B1	COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS	CELLCEUTIX CORP (US)	2017-10-11	—	—	EP	disclosed