SCHEMBL10144113

CCn1c(=O)cc(C)c2ccc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MDM2	Q00987	1/20	0.41

▸	TLR2	O60603	5/20	0.40

▸	TLR1	Q15399	1/20	0.40

▸	CA1	P00915	1/20	0.38

▸	CA2	P00918	1/20	0.38

▸	HTRA1	Q92743	1/20	0.38

▸	ITGB3	P05106	1/20	0.36

▸	ITGA2B	P08514	1/20	0.36

▸	SIRT5	Q9NXA8	1/20	0.36

▸	SIRT2	Q8IXJ6	2/20	0.35

▸	TPSAB1	Q15661	1/20	0.35

▸	SIRT1	Q96EB6	2/20	0.35

▸	CTSS	P25774	2/20	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
SCHEMBL10144131	0.95	MDM2 (0.41)	MDM2TLR2TLR1CA1CA2
SCHEMBL10144410	0.95	MDM2 (0.41)	MDM2TLR2TLR1CA1CA2
SCHEMBL10143778	0.95	MDM2 (0.41)	MDM2TLR2TLR1CA1CA2
SCHEMBL10143411	0.93	MDM2 (0.40)	MDM2TLR2TLR1CA1CA2
SCHEMBL10143766	0.93	MDM2 (0.40)	MDM2TLR2TLR1CA1CA2
SCHEMBL10144157	0.91	MDM2 (0.40)	MDM2TLR2TLR1CA1CA2
SCHEMBL10144186	0.90	TLR2 (0.44)	MDM2TLR2
SCHEMBL10144194	0.88	MDM2 (0.39)	MDM2TLR2TLR1CA1CA2
SCHEMBL10144189	0.88	CA1 (0.43)	MDM2TLR2TLR1CA1CA2
SCHEMBL10144109	0.87	MDM2 (0.42)	MDM2TLR2TLR1SIRT5SIRT2

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