SCHEMBL19559859

C[C@H](NC(=O)OC(C)(C)C1CCCC1)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	13/20	0.42

▸	PSMB1	P20618	2/20	0.39

▸	PSMB8	P28062	2/20	0.39

▸	PSMB9	P28065	2/20	0.39

▸	PSMB5	P28074	2/20	0.39

▸	PSMB10	P40306	1/20	0.39

▸	PSMB2	P49721	1/20	0.39

▸	ABCB1	P08183	1/20	0.38

▸	YAP1	P46937	1/20	0.38

▸	ATM	Q13315	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	HDAC8	Q9BY41	1/20	0.36

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
SCHEMBL18085006	0.90	REN (0.48)	RENPSMB10ABCB1HDAC8
SCHEMBL19547915	0.86	REN (0.41)	RENABCB1
SCHEMBL19547916	0.86	REN (0.41)	RENABCB1
SCHEMBL18064473	0.80	MMP1 (0.39)	RENABCB1KMT2AHDAC8
SCHEMBL18064474	0.80	MMP1 (0.39)	RENABCB1KMT2AHDAC8
SCHEMBL18085008	0.80	ABCB1 (0.46)	RENPSMB10ABCB1HDAC8
SCHEMBL19559783	0.77	ATM (0.47)	RENPSMB1PSMB8PSMB9PSMB5
SCHEMBL16576417	0.74	SCN9A (0.42)	RENPSMB1PSMB8PSMB9PSMB5
SCHEMBL30511376	0.73	CTSS (0.46)	RENHDAC8
SCHEMBL16576413	0.71	REN (0.65)	RENABCB1HDAC8

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-3044204-B1	A PHOTOLABILE LINKER FOR THE SOLID-PHASE SYNTHESIS OF HYDRAZIDES AND PYRANOPYRAZOLES	UNIV DANMARKS TEKNISKE (DK)	2017-11-08	—	—	EP	disclosed