SCHEMBL7141594

SCHEMBL7141594

C=CCO[C@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@H](OCC[C@H](O)CCCCCCCCCCC)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TLR4 O00206 2/20 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
SCHEMBL7141598 1.00 LMNA (0.31) LMNAKMT2ATLR4
SCHEMBL7136807 0.93 TLR4 (0.34) LMNAKMT2ATLR4
SCHEMBL7136812 0.93 TLR4 (0.34) LMNAKMT2ATLR4
SCHEMBL7141779 0.91 TLR4 (0.36) LMNAKMT2ATLR4
SCHEMBL7141782 0.91 TLR4 (0.36) LMNAKMT2ATLR4
SCHEMBL7133789 0.90 TLR4 (0.34) TLR4
SCHEMBL7133793 0.90 TLR4 (0.34) TLR4
SCHEMBL7177273 0.89 BTN3A1 (0.31) TLR4
SCHEMBL7177274 0.89 BTN3A1 (0.31) TLR4
SCHEMBL7143293 0.84 TLR4 (0.36) TLR4

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-6511965-B2 For therapy and prophylaxis of inflammatory disorders, autoimmune diseases or septicemia SANKYO COMPANY, LIMITED (JP) 2003-01-28 — — US disclosed
EP-1152007-A1 ETHER TYPE LIPID A1-CARBOXYLIC ACID ANALOGUES Sankyo Company, Limited (JP) 2001-11-07 — — EP disclosed
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