SCHEMBL17524643

C/C=C(\C(=O)N(C)[C@@H](CC(C)C)C(N)=O)N(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)CCN1CCOCC1)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CCC(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	MMP3	P08254	2/20	0.31

▸	MMP9	P14780	2/20	0.31

▸	MMP1	P03956	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
SCHEMBL17524672	0.86	—	—
SCHEMBL17518367	0.85	MMP3 (0.35)	MMP3MMP9MMP1
SCHEMBL17518275	0.84	MMP3 (0.32)	MMP3MMP9MMP1
SCHEMBL18231261	0.81	ABCB1 (0.31)	MMP3MMP9
SCHEMBL18231262	0.81	ABCB1 (0.31)	—
SCHEMBL17518250	0.80	MMP3 (0.38)	MMP3MMP9MMP1
SCHEMBL16549353	0.79	—	—
SCHEMBL18377675	0.78	PSMB5 (0.33)	MMP3MMP9MMP1
SCHEMBL16549411	0.78	—	—
SCHEMBL17518392	0.76	—	—

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-9266927-B2	Cyclosporin A analogs	ALLERGAN, INC. (US)	2016-02-23	—	—	US	disclosed