SCHEMBL9126453

SCHEMBL9126453

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](COC(=O)[C@@H](CCC(=O)OCc2ccccc2)NC(=O)CCCCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)CNC(=O)CCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SELP P16109 3/20 0.37
▸ SIRT2 Q8IXJ6 3/20 0.36
▸ LGALS8 O00214 1/20 0.36
▸ SSTR3 P32745 4/20 0.36
▸ SSTR5 P35346 4/20 0.36
▸ TLR4 O00206 5/20 0.36
▸ SSTR2 P30874 2/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL9127067 0.95 TLR4 (0.41) MEN1ALDH1A1HPGDKMT2ASELP
SCHEMBL9126017 0.95 TLR4 (0.41) MEN1ALDH1A1HPGDKMT2ASELP
SCHEMBL9125250 0.95 TLR4 (0.41) MEN1ALDH1A1HPGDKMT2ASELP
SCHEMBL9124729 0.92 TLR4 (0.39) MEN1ALDH1A1HPGDKMT2ASELP
SCHEMBL9124175 0.91 MEN1 (0.38) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9125725 0.90 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9126181 0.90 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9125656 0.90 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9126739 0.90 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9124536 0.90 TLR4 (0.42) SELPLGALS8SSTR3SSTR5TLR4

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
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
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