SCHEMBL29569477

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TPSAB1	Q15661	10/20	0.48

▸	SIRT2	Q8IXJ6	5/20	0.35

▸	SIRT1	Q96EB6	5/20	0.35

▸	SIRT3	Q9NTG7	5/20	0.35

▸	ALOX15	P16050	1/20	0.33

▸	ITGB3	P05106	1/20	0.33

▸	ITGA2B	P08514	1/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	CYP1A2	P05177	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	CD40	P25942	1/20	0.33

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
SCHEMBL29569013	1.00	TPSAB1 (0.48)	TPSAB1SIRT2SIRT1SIRT3ALOX15
SCHEMBL29569175	1.00	TPSAB1 (0.48)	TPSAB1SIRT2SIRT1SIRT3ALOX15
SCHEMBL30604555	1.00	TPSAB1 (0.48)	TPSAB1SIRT2SIRT1SIRT3ALOX15
SCHEMBL29568988	1.00	TPSAB1 (0.48)	TPSAB1SIRT2SIRT1SIRT3ALOX15
SCHEMBL29569393	0.94	TPSAB1 (0.44)	TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL29568603	0.93	TPSAB1 (0.43)	TPSAB1SIRT2SIRT1SIRT3
Novexatin SCHEMBL29715903	0.92	TPSAB1 (0.50)	TPSAB1SIRT2SIRT1SIRT3ALOX15
SCHEMBL14906469	0.92	TPSAB1 (0.50)	TPSAB1SIRT2SIRT1SIRT3ALOX15
SCHEMBL29568658	0.88	GHSR (0.42)	TPSAB1ITGB3
SCHEMBL29569694	0.88	GHSR (0.42)	TPSAB1ITGB3

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-3320923-B1	FLUORESCENT IMAGING AGENTS	VISEN MEDICAL INC (US)	2022-04-06	—	—	EP	disclosed