Nagilactone

SCHEMBL30496600

CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13

nearest known ligand 0.63

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	2/20	0.63

▸	HTT	P42858	2/20	0.63

▸	SMN1; SMN2	Q16637	2/20	0.63

▸	NPC1	O15118	1/20	0.63

▸	MITF	O75030	1/20	0.63

▸	NFKB1	P19838	1/20	0.63

▸	RAB9A	P51151	1/20	0.63

▸	NFKB2	Q00653	1/20	0.63

▸	RELA	Q04206	1/20	0.63

▸	POLB	P06746	1/20	0.63

▸	JUN	P05412	1/20	0.44

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
Nagilactone C SCHEMBL29709870	1.00	LMNA (0.63)	LMNAHTTSMN1; SMN2NPC1MITF
Nagilactone SCHEMBL29709880	1.00	LMNA (0.63)	LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034499	0.88	LMNA (0.70)	LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL29709820	0.80	LMNA (0.84)	LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL29709864	0.77	LMNA (1.00)	LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034638	0.77	LMNA (0.84)	LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL29709886	0.77	LMNA (1.00)	LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034642	0.77	LMNA (0.59)	LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034509	0.75	LMNA (0.74)	LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL30496584	0.75	LMNA (0.74)	LMNAHTTSMN1; SMN2NPC1MITF

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
CN-107405330-B	Bamboo Bai ester compound with hypolipidemic activity, and preparation method and application thereof	中国科学院上海药物研究所	2023-08-01	—	—	CN	disclosed