SCHEMBL10144410

CCCCn1c(=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 0.49

Predicted protein targets (top 10)

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

▸	TLR2	O60603	5/20	0.39

▸	TLR1	Q15399	1/20	0.39

▸	CA1	P00915	1/20	0.37

▸	CA2	P00918	1/20	0.37

▸	SIRT1	Q96EB6	7/20	0.36

▸	SIRT2	Q8IXJ6	6/20	0.36

▸	HTRA1	Q92743	1/20	0.36

▸	TDP1	Q9NUW8	1/20	0.35

▸	SIRT3	Q9NTG7	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	0.97	MDM2 (0.41)	MDM2TLR2TLR1CA1CA2
SCHEMBL10144113	0.95	MDM2 (0.41)	MDM2TLR2TLR1CA1CA2
SCHEMBL10143778	0.93	MDM2 (0.41)	MDM2TLR2TLR1CA1CA2
SCHEMBL10143766	0.92	MDM2 (0.40)	MDM2TLR2TLR1CA1CA2
SCHEMBL10143411	0.92	MDM2 (0.40)	MDM2TLR2TLR1CA1CA2
SCHEMBL10144157	0.89	MDM2 (0.40)	MDM2TLR2TLR1CA1CA2
SCHEMBL10143586	0.88	MDM2 (0.42)	MDM2SIRT1SIRT2SIRT3
SCHEMBL10143779	0.87	TLR2 (0.45)	MDM2TLR2
SCHEMBL10144194	0.86	MDM2 (0.39)	MDM2TLR2TLR1CA1CA2
SCHEMBL10144189	0.86	CA1 (0.43)	MDM2TLR2TLR1CA1CA2

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