SCHEMBL9125712

SCHEMBL9125712

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)O)CC(=O)O)O[C@H](COC(=O)C(CCC(=O)O)NC(=O)CCCCCCCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 11/20 0.43
▸ SSTR2 P30874 2/20 0.38
▸ SSTR3 P32745 2/20 0.38
▸ SSTR5 P35346 2/20 0.38
▸ LY96 Q9Y6Y9 6/20 0.38
▸ SYNJ2 O15056 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ MCL1 Q07820 1/20 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
SCHEMBL9125721 1.00 TLR4 (0.43) TLR4SSTR2SSTR3SSTR5LY96
SCHEMBL9127440 0.95 TLR4 (0.43) TLR4SSTR2SSTR3SSTR5LY96
SCHEMBL9127443 0.95 TLR4 (0.43) TLR4SSTR2SSTR3SSTR5LY96
SCHEMBL9126740 0.92 TLR4 (0.50) TLR4LY96SELP
SCHEMBL9128952 0.92 TLR4 (0.50) TLR4LY96SELP
SCHEMBL9129908 0.92 TLR4 (0.50) TLR4LY96SELP
SCHEMBL9128948 0.92 TLR4 (0.50) TLR4LY96SELP
SCHEMBL9129913 0.92 TLR4 (0.50) TLR4LY96SELP
SCHEMBL9568238 0.92 TLR4 (0.42) TLR4LY96
SCHEMBL9125046 0.92 TLR4 (0.42) TLR4LY96

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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