SCHEMBL17381104

CCCCCCCC(=O)O[C@H]1[C@H]2C(=C(C)[C@@H]1O)[C@@H]1OC(=O)[C@@](C)(O)[C@@]1(O)[C@@H](OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)C[C@]2(C)OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	MAPT	P10636	4/20	0.64

▸	ATP2A1	O14983	4/20	0.64

▸	HPGD	P15428	2/20	0.64

▸	POLB	P06746	2/20	0.64

▸	MAPK1	P28482	2/20	0.64

▸	KMT2A	Q03164	2/20	0.64

▸	NPSR1	Q6W5P4	2/20	0.64

▸	NPC1	O15118	2/20	0.64

▸	RAB9A	P51151	2/20	0.64

▸	MEN1	O00255	1/20	0.64

▸	GMNN	O75496	1/20	0.64

▸	ALDH1A1	P00352	1/20	0.64

▸	LMNA	P02545	1/20	0.64

▸	GLA	P06280	1/20	0.64

▸	GAA	P10253	1/20	0.64

▸	APEX1	P27695	1/20	0.64

▸	BLM	P54132	1/20	0.64

▸	PMP22	Q01453	1/20	0.64

▸	SMN1; SMN2	Q16637	1/20	0.64

▸	MTOR	P42345	1/20	0.64

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
SCHEMBL17381105	0.90	MAPT (0.81)	MAPTATP2A1HPGDPOLBMAPK1
SCHEMBL17381108	0.88	ATP2A1 (0.77)	MAPTATP2A1HPGDPOLBMAPK1
SCHEMBL17483574	0.86	MAPT (0.82)	MAPTATP2A1HPGDPOLBMAPK1
SCHEMBL2623707	0.82	MAPT (0.67)	MAPTATP2A1HPGDPOLBMAPK1
SCHEMBL2623708	0.81	MAPT (0.65)	MAPTATP2A1HPGDPOLBMAPK1
SCHEMBL2623704	0.80	MAPT (0.63)	MAPTATP2A1HPGDPOLBMAPK1
Thapsigargin SCHEMBL5690389	0.78	MAPT (1.00)	MAPTATP2A1HPGDPOLBMAPK1
Thapsigargin SCHEMBL21981209	0.78	MAPT (1.00)	MAPTATP2A1HPGDPOLBMAPK1
Thapsigargin SCHEMBL21981207	0.78	MAPT (1.00)	MAPTATP2A1HPGDPOLBMAPK1
Thapsigargin SCHEMBL18762159	0.78	MAPT (1.00)	MAPTATP2A1HPGDPOLBMAPK1

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-2015197860-A2	NOVEL THAPSIGARGIN ANALOGUES AND METHODS OF PREPARING THEM	UNIVERSITY OF COPENHAGEN (DK)	2015-12-30	—	—	WO	disclosed