SCHEMBL9123760

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](NC(=O)CCCCCCCNC(=O)c2ccccc2)[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](COC(=O)CCC(NC(=O)CN(CCCCCCCCCCCC)C(=O)CCCCCCCCCCC)C(=O)OCc2ccccc2)[C@H]1OC(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1	O00255	1/20	0.38

▸	ALDH1A1	P00352	1/20	0.38

▸	HPGD	P15428	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	SIRT2	Q8IXJ6	6/20	0.37

▸	TLR4	O00206	10/20	0.35

▸	CCKBR	P32239	2/20	0.35

▸	SIRT1	Q96EB6	3/20	0.34

▸	SIRT3	Q9NTG7	2/20	0.34

▸	LY96	Q9Y6Y9	5/20	0.34

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
SCHEMBL9125663	0.93	MEN1 (0.42)	MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9124251	0.91	TLR4 (0.38)	MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9128735	0.89	TLR2 (0.42)	MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9125725	0.87	MEN1 (0.42)	MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9126181	0.87	MEN1 (0.42)	MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9126739	0.87	MEN1 (0.42)	MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9125656	0.87	MEN1 (0.42)	MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9127725	0.84	TLR4 (0.42)	MEN1ALDH1A1HPGDKMT2ATLR4
SCHEMBL9127439	0.83	TLR2 (0.41)	MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9128727	0.83	TLR2 (0.41)	MEN1ALDH1A1HPGDKMT2ASIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5432267-A	Inhibits tumor necrosis factor derivation by endotoxin	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1995-07-11	—	—	US	disclosed
EP-0563908-A1	Amino sugar derivatives	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1993-10-06	—	—	EP	disclosed