SCHEMBL9124729

SCHEMBL9124729

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)CCCCCCCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCHR1 Q99705 4/20 0.39
▸ SSTR2 P30874 2/20 0.39
▸ SSTR3 P32745 2/20 0.39
▸ SSTR5 P35346 2/20 0.39
▸ SELP P16109 3/20 0.37
▸ LY96 Q9Y6Y9 3/20 0.37

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
SCHEMBL9125716 0.97 MCHR1 (0.39) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9126017 0.97 TLR4 (0.41) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9125250 0.97 TLR4 (0.41) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9127067 0.97 TLR4 (0.41) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9127821 0.94 MCHR1 (0.38) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9127454 0.93 TLR4 (0.42) TLR4SSTR2SSTR3SSTR5SELP
SCHEMBL9124536 0.93 TLR4 (0.42) TLR4SSTR2SSTR3SSTR5SELP
SCHEMBL9126453 0.92 MEN1 (0.40) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9125721 0.92 TLR4 (0.43) TLR4MCHR1SSTR2SSTR3SSTR5
SCHEMBL9125712 0.92 TLR4 (0.43) TLR4MCHR1SSTR2SSTR3SSTR5

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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