SCHEMBL19955022

CNC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)N[C@@H](C)C(=O)NC(=O)[C@H](CC(C)C)NC

nearest known ligand 0.33

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	MMP2	P08253	3/20	0.33

▸	MMP9	P14780	3/20	0.33

▸	MMP8	P22894	3/20	0.33

▸	MMP3	P08254	1/20	0.30

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
SCHEMBL19955025	1.00	MMP2 (0.33)	MMP2MMP9MMP8MMP3
SCHEMBL20664927	0.97	MMP3 (0.32)	MMP2MMP9MMP8MMP3
SCHEMBL19955112	0.97	MMP3 (0.32)	MMP2MMP9MMP8MMP3
SCHEMBL20664934	0.97	MMP3 (0.32)	MMP2MMP9MMP8MMP3
SCHEMBL19955019	0.97	MMP3 (0.32)	MMP2MMP9MMP8MMP3
SCHEMBL19955110	0.97	MMP3 (0.32)	MMP2MMP9MMP8MMP3
SCHEMBL19866110	0.97	MMP3 (0.32)	MMP2MMP9MMP8MMP3
SCHEMBL18123722	0.80	MMP9 (0.38)	MMP2MMP9MMP8MMP3
SCHEMBL19866117	0.79	MMP2 (0.33)	MMP2MMP9MMP8MMP3
SCHEMBL19866065	0.79	MMP2 (0.31)	MMP2MMP9MMP8

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
US-9914755-B2	Cyclosporin derivatives wherein the MeBmt sidechain has been cyclized	ALLERGAN, INC. (US)	2018-03-13	—	—	US	disclosed