SCHEMBL16576417

C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@@H]1C(=O)N(N)C1C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SCN9A	Q15858	8/20	0.42

▸	ABCB1	P08183	1/20	0.42

▸	ATM	Q13315	1/20	0.41

▸	KMT2A	Q03164	1/20	0.41

▸	CCKAR	P32238	1/20	0.41

▸	CCKBR	P32239	1/20	0.41

▸	PSMB10	P40306	3/20	0.41

▸	PSMB1	P20618	6/20	0.40

▸	PSMB9	P28065	5/20	0.40

▸	PSMB5	P28074	5/20	0.40

▸	PSMB8	P28062	4/20	0.40

▸	REN	P00797	1/20	0.40

▸	PSMB2	P49721	2/20	0.40

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	0.80	REN (0.48)	ABCB1PSMB10REN
SCHEMBL18085008	0.75	ABCB1 (0.46)	ABCB1PSMB10REN
SCHEMBL16576420	0.74	REN (0.52)	ABCB1ATMKMT2AREN
SCHEMBL19559859	0.74	REN (0.42)	ABCB1ATMKMT2APSMB10PSMB1
SCHEMBL30065465	0.73	ABCB1 (0.50)	ABCB1ATMKMT2APSMB10REN
SCHEMBL19547916	0.73	REN (0.41)	ABCB1REN
SCHEMBL19547915	0.73	REN (0.41)	ABCB1REN
SCHEMBL3824555	0.70	ACE (0.62)	ABCB1REN
SCHEMBL18064468	0.70	REN (0.65)	ABCB1CCKBRREN
SCHEMBL16576413	0.70	REN (0.65)	ABCB1CCKBRREN

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-2015036481-A1	A PHOTOLABILE LINKER FOR THE SOLID-PHASE SYNTHESIS OF HYDRAZIDES AND PYRANOPYRAZOLES	DANMARKS TEKNISKE UNIVERSITET (DK)	2015-03-19	—	—	WO	disclosed