Sugi Predict

Sugi Predict / Compounds / SCHEMBL7140247

SCHEMBL7140247

SCHEMBL7140247

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CCO[C@@H]1[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](O)O[C@H](COC(=O)OCc2ccccc2)[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 13/20 0.36
▸ TNF P01375 1/20 0.33
▸ TLR2 O60603 3/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ PGR P06401 1/20 0.31

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
SCHEMBL7521487 1.00 TLR4 (0.36) TLR4TNFTLR2ESR1PGR
SCHEMBL7140251 1.00 TLR4 (0.36) TLR4TNFTLR2ESR1PGR
SCHEMBL7143122 0.92 TLR2 (0.33) TLR4TNFTLR2
SCHEMBL7143124 0.92 TLR2 (0.33) TLR4TNFTLR2
SCHEMBL7140127 0.92 TLR4 (0.39) TLR4TNFTLR2ESR1PGR
SCHEMBL7140129 0.92 TLR4 (0.39) TLR4TNFTLR2ESR1PGR
SCHEMBL7141608 0.91 TLR4 (0.36) TLR4TNFTLR2
SCHEMBL7141782 0.91 TLR4 (0.36) TLR4TNF
SCHEMBL7141779 0.91 TLR4 (0.36) TLR4TNF
SCHEMBL7143874 0.90 TLR4 (0.38) TLR4TLR2ESR1PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6511965-B2 For therapy and prophylaxis of inflammatory disorders, autoimmune diseases or septicemia SANKYO COMPANY, LIMITED (JP) 2003-01-28 — — US disclosed
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