SCHEMBL9499126

SCHEMBL9499126

CCCCCCCCCCCCCCCCC(CCCCCCCCC)CC(=O)O[C@H]1[C@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H](CO)OC(O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.52
▸ LY96 Q9Y6Y9 6/20 0.41

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
SCHEMBL9500157 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9499452 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9499448 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9498213 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9498205 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9498636 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9498173 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9499132 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9498534 1.00 TLR4 (0.52) TLR4LY96
SCHEMBL9498171 1.00 TLR4 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5191072-A Drugs, antitumor JAPAN TOBACCO INC. (JP) 1993-03-02 — — US disclosed
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