SCHEMBL15880922

CC(C)(C)OC(=O)N(CCCCN)C(=O)[C@H](N)CCCCN=[N+]=[N-].CC(C)(C)OC(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	8/20	0.35

▸	ITGA2B	P08514	8/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	TSHR	P16473	1/20	0.35

▸	FOLH1	Q04609	4/20	0.34

▸	CTSS	P25774	1/20	0.32

▸	CTSK	P43235	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
SCHEMBL15882415	0.89	DPP7 (0.33)	—
SCHEMBL15888952	0.81	ALDH1A1 (0.46)	ITGB3ITGA2BALDH1A1TSHRCTSS
SCHEMBL14439650	0.81	ALDH1A1 (0.46)	ITGB3ITGA2BALDH1A1TSHRCTSS
SCHEMBL15880919	0.80	—	—
SCHEMBL26355806	0.80	ALDH1A1 (0.45)	ITGB3ITGA2BALDH1A1TSHRFOLH1
SCHEMBL16288146	0.77	CTSK (0.46)	ITGB3ITGA2BALDH1A1TSHRCTSS
SCHEMBL15083489	0.77	CTSK (0.46)	ITGB3ITGA2BALDH1A1TSHRCTSS
SCHEMBL376450	0.75	FOLH1 (0.53)	ITGB3ITGA2BALDH1A1TSHRFOLH1
SCHEMBL918952	0.75	FOLH1 (0.53)	ITGB3ITGA2BALDH1A1TSHRFOLH1
SCHEMBL47004	0.75	FOLH1 (0.53)	ITGB3ITGA2BALDH1A1TSHRFOLH1

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-2014111545-A1	COMPOUNDS FOR FUNCTIONALIZING BIOMATERIALS	ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH)	2014-07-24	—	—	WO	disclosed