SCHEMBL22745819

SCHEMBL22745819

CCCCCCCCCCCCCCCC(=O)NC1C(OC2C(O)C2CO)OC(CO)C(O)C1O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.55
▸ TLR4 O00206 10/20 0.51
▸ GJB2 P29033 1/20 0.49
▸ LY96 Q9Y6Y9 6/20 0.49
▸ CD69 Q07108 1/20 0.44
▸ CHIA Q9BZP6 1/20 0.44

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
SCHEMBL9233216 0.85 MAPK1 (0.60) MAPK1TLR4GJB2LY96
SCHEMBL10960278 0.83 MAPK1 (0.59) MAPK1TLR4GJB2LY96
SCHEMBL10960274 0.83 MAPK1 (0.59) MAPK1TLR4GJB2LY96
SCHEMBL16509348 0.83 MAPK1 (0.49) MAPK1TLR4GJB2LY96CD69
SCHEMBL16502194 0.83 MAPK1 (0.60) MAPK1TLR4GJB2LY96CD69
SCHEMBL24955827 0.82 MAPK1 (0.58) MAPK1TLR4GJB2LY96CD69
SCHEMBL9521910 0.82 MAPK1 (0.69) MAPK1TLR4GJB2LY96
SCHEMBL19225396 0.82 MAPK1 (0.55) MAPK1TLR4GJB2LY96CD69
SCHEMBL17208311 0.81 TLR4 (0.57) MAPK1TLR4LY96
SCHEMBL20685510 0.81 MAPK1 (0.54) MAPK1TLR4LY96CD69CHIA

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-3210463-B1 LIPOCHITO-OLIGOSACCHARIDES STIMULATING ARBUSCULAR MYCORRHIZAL SYMBIOSIS INSTITUT NATIONAL DE RECH POUR LAGRICULTURE LALIMENTATION ET LENVIRONNEMENT (FR) 2020-12-02 — — EP disclosed
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