SCHEMBL8726513

C[C@H](NC(=O)c1ccc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)cc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPT	P10636	1/20	0.42

▸	MAPK1	P28482	1/20	0.42

▸	TDP1	Q9NUW8	1/20	0.42

▸	PPARA	Q07869	2/20	0.42

▸	LTA4H	P09960	1/20	0.40

▸	CTSK	P43235	3/20	0.40

▸	KDM1A	O60341	1/20	0.40

▸	RCOR1	Q9UKL0	1/20	0.40

▸	PSMB5	P28074	1/20	0.40

▸	PPARG	P37231	1/20	0.40

▸	POLB	P06746	1/20	0.39

▸	MMP3	P08254	1/20	0.39

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
SCHEMBL8722981	0.84	CTSK (0.53)	CTSKPSMB5
SCHEMBL29813236	0.83	CTSK (0.53)	CTSKPSMB5
SCHEMBL8726195	0.82	NPC1 (0.38)	TDP1PPARAPPARG
SCHEMBL9088141	0.80	HDAC1 (0.49)	MAPTTDP1POLB
SCHEMBL8721920	0.80	DHFR (0.34)	TDP1PPARAPPARG
SCHEMBL8723006	0.79	DHFR (0.33)	TDP1PPARAPPARG
SCHEMBL30999385	0.78	CTSK (0.53)	PPARACTSKPSMB5
SCHEMBL7904398	0.78	CTSK (0.51)	CTSKPSMB5
SCHEMBL13570900	0.78	SYK (0.55)	MAPTPPARACTSKPPARG
SCHEMBL9819558	0.78	SYK (0.55)	MAPTPPARACTSKPPARG

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-1998035982-A1	COMPOUNDS FOR USE IN ADEPT	ZENECA LIMITED (GB)	1998-08-20	—	—	WO	disclosed