SCHEMBL248559

CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	HSPD1	P10809	2/20	1.00

▸	HSPE1	P61604	2/20	1.00

▸	MEN1	O00255	2/20	0.86

▸	KMT2A	Q03164	2/20	0.86

▸	USP2	O75604	1/20	0.86

▸	ADORA3	P0DMS8	1/20	0.84

▸	DRD1	P21728	1/20	0.84

▸	NPC1	O15118	1/20	0.70

▸	MTOR	P42345	1/20	0.70

▸	RAB9A	P51151	1/20	0.70

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
SCHEMBL29523079	1.00	HSPD1 (1.00)	HSPD1HSPE1MEN1KMT2AUSP2
SCHEMBL248270	1.00	HSPD1 (1.00)	HSPD1HSPE1MEN1KMT2AUSP2
SCHEMBL29355814	1.00	HSPD1 (1.00)	HSPD1HSPE1MEN1KMT2AUSP2
SCHEMBL19708763	1.00	HSPD1 (1.00)	HSPD1HSPE1MEN1KMT2AUSP2
Eprinomectin SCHEMBL29392105	0.99	HSPD1 (0.98)	HSPD1HSPE1MEN1KMT2AUSP2
Eprinomectin SCHEMBL120548	0.99	HSPD1 (0.98)	HSPD1HSPE1MEN1KMT2AUSP2
Propylene Glycol SCHEMBL9901967	0.97	HSPD1 (0.94)	HSPD1HSPE1MEN1KMT2AUSP2
SCHEMBL13309158	0.96	HSPD1 (0.93)	HSPD1HSPE1MEN1KMT2AUSP2
SCHEMBL19708888	0.96	HSPD1 (0.91)	HSPD1HSPE1MEN1KMT2AUSP2
SCHEMBL3913613	0.96	HSPD1 (0.91)	HSPD1HSPE1MEN1KMT2AUSP2

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-2012001083-A2	NOVEL EPRINOMECTIN INJECTABLE COMPOSITIONS	CEVA SANTE ANIMALE SA (FR)	2012-01-05	—	—	WO	disclosed