SCHEMBL10144208

CC(=O)NCCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TLR2	O60603	4/20	0.40

▸	TPSAB1	Q15661	1/20	0.39

▸	SIRT1	Q96EB6	6/20	0.36

▸	SIRT2	Q8IXJ6	6/20	0.36

▸	HDAC4	P56524	2/20	0.36

▸	MEF2D	Q14814	2/20	0.36

▸	EP300	Q09472	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	SIRT5	Q9NXA8	1/20	0.35

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
SCHEMBL10144209	0.93	TLR2 (0.39)	TLR2TPSAB1SIRT1SIRT2SIRT5
SCHEMBL10144194	0.93	MDM2 (0.39)	TLR2TPSAB1HDAC4SIRT5
SCHEMBL10144213	0.93	TLR2 (0.40)	TLR2TPSAB1HDAC4MEF2DEP300
SCHEMBL10144324	0.92	TLR2 (0.44)	TLR2TPSAB1HDAC4MEF2DEP300
SCHEMBL10144210	0.91	MDM2 (0.40)	TLR2TPSAB1HDAC4SIRT5
SCHEMBL10144413	0.87	CA1 (0.40)	TLR2TPSAB1SIRT1HDAC4SIRT5
SCHEMBL10143385	0.86	MDM2 (0.38)	TLR2TPSAB1HDAC4KMT2ASIRT5
SCHEMBL10143383	0.85	TLR2 (0.40)	TLR2TPSAB1SIRT1SIRT2SIRT5
SCHEMBL10143509	0.84	CACNA1B (0.39)	TLR2TPSAB1HDAC4KMT2ASIRT5
SCHEMBL10144432	0.84	CA1 (0.45)	TLR2TPSAB1HDAC4KMT2ASIRT5

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-2012009258-A2	PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS	ROBERTS EDWARD (US)	2012-01-19	—	—	WO	disclosed