SCHEMBL9332605

SCHEMBL9332605

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC)C(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@]1(O)C(=O)CCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 3/20 0.39
▸ TLR4 O00206 8/20 0.36
▸ HPSE Q9Y251 1/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ SIRT1 Q96EB6 3/20 0.34
▸ LGALS8 O00214 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SYNJ2 O15056 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
SCHEMBL9332998 0.89 SELP (0.34) SELPSIRT2SIRT1MEN1ALDH1A1
SCHEMBL9332055 0.84 TLR4 (0.46) TLR4
SCHEMBL6795477 0.82 SELP (0.45) SELPTLR4LGALS8
SCHEMBL6800989 0.82 SELP (0.45) SELPTLR4LGALS8
SCHEMBL8431207 0.80 SELP (0.43) SELPTLR4LGALS8SYNJ2
SCHEMBL9332085 0.79 SELP (0.31) SELPTLR4
SCHEMBL9332104 0.77 TLR4 (0.35) TLR4
SCHEMBL8432784 0.75 SSTR5 (0.43) SELPTLR4
SCHEMBL8434745 0.75 LGALS8 (0.43) SELPTLR4LGALS8SYNJ2
SCHEMBL8436248 0.75 SELP (0.39) SELPTLR4LGALS8

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-5352811-A To produce homoallylic alcohol, acylation, oxidation of double bond E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-04 — — US disclosed
US-5158941-A Lipid A analog as stimulant for production of interleukin-1 in human monocytes and tumor cell growth inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-27 — — US disclosed
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