Sugi Predict

Sugi Predict / Compounds / SCHEMBL7532142

SCHEMBL7532142

SCHEMBL7532142

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 4/20 0.56
▸ CETP P11597 1/20 0.46
▸ TK2 O00142 2/20 0.45
▸ SELP P16109 1/20 0.45

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
SCHEMBL2959758 0.97 TLR4 (0.54) TLR4CETPSELP
SCHEMBL4193271 0.94 TLR4 (0.49) TLR4SELP
SCHEMBL7532141 0.94 TLR4 (0.56) TLR4CETPSELP
SCHEMBL509203 0.94 TLR4 (0.50) TLR4CETPSELP
SCHEMBL2959757 0.91 TLR4 (0.54) TLR4CETPSELP
SCHEMBL4185394 0.91 LGALS8 (0.50) TLR4TK2
SCHEMBL3393533 0.91 LGALS8 (0.50) TLR4TK2
SCHEMBL4199470 0.91 LGALS8 (0.50) TLR4TK2
SCHEMBL4185270 0.91 LGALS8 (0.50) TLR4TK2
SCHEMBL4181285 0.91 LGALS8 (0.50) TLR4TK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714905-B1 Process for producing trehalose derivatives HAYASHIBARA BIOCHEM LAB (JP) 2002-04-03 — — EP disclosed
US-5906924-A REACTING ANHYDROUS TREHALOSE UNDER ANHYDROUS CONDITIONS KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGUKU KENKYUJO (JP) 1999-05-25 — — US disclosed
EP-0714905-A2 Process for producing trehalose derivatives KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 1996-06-05 — — EP disclosed