SCHEMBL13296602

C#CC(C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)=S1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	8/20	0.43

▸	TLR2	O60603	1/20	0.40

▸	TLR1	Q15399	1/20	0.40

▸	PSMB8	P28062	1/20	0.40

▸	PSMB9	P28065	1/20	0.40

▸	PSMB5	P28074	1/20	0.40

▸	GRB2	P62993	1/20	0.39

▸	KMT2A	Q03164	1/20	0.39

▸	REN	P00797	2/20	0.38

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
SCHEMBL13296509	0.94	PTPN1 (0.43)	PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL13296611	0.92	TLR2 (0.42)	PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL13296538	0.86	TLR2 (0.42)	PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL30545031	0.81	MDM2 (0.52)	PTPN1TLR2TLR1KMT2A
SCHEMBL13296561	0.81	PTPN1 (0.43)	PTPN1TLR2TLR1GRB2KMT2A
SCHEMBL12340097	0.81	KMT2A (0.48)	PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL29431191	0.81	MDM2 (0.51)	PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL18421240	0.81	MDM2 (0.52)	PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL30193389	0.81	MDM2 (0.52)	PTPN1TLR2TLR1PSMB8PSMB9
SCHEMBL1755616	0.81	PAX8 (0.55)	TLR2TLR1PSMB8PSMB9PSMB5

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
US-7737293-B2	Amide forming chemical ligation	REGENTS OF THE UNIVERSITY OF CALIFORNIA (US)	2010-06-15	—	—	US	disclosed