SCHEMBL13394013

SCHEMBL13394013

CCC(O)C(CC)C(=O)OCC1O[C@H](O[C@H]2OC(COC(=O)C(CC)C(O)CC)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.51
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ PRKCH P24723 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCZ Q05513 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ PRKD1 Q15139 1/20 0.42
▸ XDH P47989 1/20 0.38
▸ CD44 P16070 1/20 0.34
▸ SLC5A1 P13866 2/20 0.33
▸ SLC5A2 P31639 2/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ VEGFA P15692 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2628184 0.91 TLR4 (0.54) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19268443 0.82 TLR4 (0.41) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL15829726 0.82 TLR4 (0.41) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19268452 0.82 TLR4 (0.41) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL13394015 0.80 TLR4 (0.66) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL2628185 0.80 TLR4 (0.66) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL12258164 0.80 TLR4 (0.66) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL29366286 0.80 TLR4 (0.66) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL2628183 0.80 TLR4 (0.66) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL29367410 0.80 TLR4 (0.66) TLR4PRKD3PRKCGPRKCBPRKCA

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-20100093993-A1 TREHALOSE COMPOUND, PROCESS FOR PRODUCTION OF THE COMPOUND, AND IMMUNO-STIMULATIVE AGENT COMPRISING THE COMPOUND OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
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