SCHEMBL9124175

SCHEMBL9124175

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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 7/20 0.35
▸ SIRT1 Q96EB6 4/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.35
▸ BCHE P06276 3/20 0.35
▸ ACHE P22303 3/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ CACNA1D Q01668 1/20 0.35
▸ CACNA1S Q13698 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ SELP P16109 3/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL9126739 0.92 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9126181 0.92 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9125725 0.92 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9125656 0.92 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9126692 0.91 BCHE (0.38) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9126453 0.91 MEN1 (0.40) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9127439 0.88 TLR2 (0.41) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9128727 0.88 TLR2 (0.41) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9127067 0.86 TLR4 (0.41) MEN1ALDH1A1HPGDKMT2ASELP
SCHEMBL9126017 0.86 TLR4 (0.41) MEN1ALDH1A1HPGDKMT2ASELP

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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