SCHEMBL10530187

SCHEMBL10530187

CCCCCCCCCCCC(=O)N(C)CC(=O)N[C@@H]1[C@@H](OCCOP(c2ccccc2)c2ccccc2)O[C@H](CO)[C@@H](O)[C@@]1(O)C(=O)CN(C)C(=O)CCCCCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ B4GALT1 P15291 1/20 0.32
▸ TLR4 O00206 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ SELP P16109 1/20 0.30

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
SCHEMBL10530199 0.83 MAPK1 (0.37) MAPK1TLR4
SCHEMBL9518882 0.81 MAPK1 (0.42) MAPK1TLR4CA1CA2CA9
SCHEMBL9518674 0.79 TLR4 (0.41) MAPK1TLR4SELP
SCHEMBL9519958 0.69 TLR4 (0.49) MAPK1TLR4SELP
SCHEMBL9518889 0.69 TLR4 (0.50) MAPK1TLR4
SCHEMBL9519596 0.69 TLR4 (0.50) MAPK1TLR4
SCHEMBL9519932 0.68 MAPK1 (0.42) MAPK1TLR4
SCHEMBL9519587 0.68 TLR4 (0.45) MAPK1TLR4SELP
SCHEMBL9332605 0.67 SELP (0.39) TLR4MEN1KMT2ASELP
SCHEMBL9762471 0.65 SELP (0.32) SELP

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
EP-0330715-A1 Disaccharide derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 — — EP disclosed
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