SCHEMBL29805481

CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CC3CCCCC3N2C(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F11	P03951	1/20	0.49

▸	ELANE	P08246	7/20	0.48

▸	ST14	Q9Y5Y6	1/20	0.47

▸	PIN1	Q13526	7/20	0.45

▸	FURIN	P09958	1/20	0.44

▸	KLKB1	P03952	1/20	0.44

▸	ITGB3	P05106	1/20	0.44

▸	ITGB1	P05556	1/20	0.44

▸	ITGAV	P06756	1/20	0.44

▸	ITGA5	P08648	1/20	0.44

▸	ITGB5	P18084	1/20	0.44

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
SCHEMBL29805414	0.98	ELANE (0.50)	F11ELANEST14PIN1KLKB1
SCHEMBL29805524	0.96	ELANE (0.49)	F11ELANEST14PIN1FURIN
SCHEMBL29805574	0.94	ELANE (0.52)	F11ELANEST14PIN1
SCHEMBL29805506	0.92	ELANE (0.53)	ELANEST14PIN1
SCHEMBL29805444	0.89	ELANE (0.57)	F11ELANEST14PIN1
SCHEMBL29805416	0.85	ELANE (0.53)	F11ELANEST14FURINITGB3
SCHEMBL29359789	0.80	ELANE (0.61)	ELANEST14FURIN
SCHEMBL23427903	0.73	HDAC4 (0.54)	PIN1ITGB3ITGB1ITGAVITGA5
SCHEMBL24411465	0.73	ACE2 (0.44)	ELANE
SCHEMBL31497320	0.73	KEAP1 (0.57)	ELANEKLKB1ITGB3ITGAVITGB5

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-3087094-B1	BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS	POLYPHOR AG (CH)	2022-06-01	—	—	EP	claimed
EP-3087094-B1	BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS	POLYPHOR AG (CH)	2022-06-01	—	—	EP	disclosed