SCHEMBL9019034

SCHEMBL9019034

C=CCO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1NC(=O)C(F)(F)C(CCCCCCCCCCC)OC(=O)OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MBOAT4 Q96T53 1/20 0.32
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8581377 0.89 KMT2A (0.33) MBOAT4
SCHEMBL8576904 0.87 L3MBTL1 (0.33) L3MBTL1MBOAT4BCHEACHE
SCHEMBL8579743 0.87 L3MBTL1 (0.33) L3MBTL1MBOAT4BCHEACHE
SCHEMBL9019040 0.87 TLR4 (0.35) L3MBTL1
SCHEMBL8579402 0.81 BCHE (0.34) L3MBTL1BCHEACHE
SCHEMBL8577163 0.81 BCHE (0.34) L3MBTL1BCHEACHE
SCHEMBL9019205 0.81 BCHE (0.34) L3MBTL1BCHEACHE
SCHEMBL10417606 0.76 L3MBTL1 (0.41) L3MBTL1BCHEACHE
SCHEMBL7136442 0.75 ASGR1 (0.33) L3MBTL1
SCHEMBL8581103 0.75 ASGR1 (0.33) L3MBTL1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 — — EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — EP disclosed
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