SCHEMBL9347376

SCHEMBL9347376

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.49
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
LGALS8 O00214 2/20 0.40
SELP P16109 2/20 0.40
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
MAPT P10636 2/20 0.39
CYP19A1 P11511 2/20 0.39
OXER1 Q8TDS5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
FFAR1 O14842 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39

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
SCHEMBL9342458 0.94 TLR4 (0.56) TLR4SELP
SCHEMBL9342585 0.91 TLR4 (0.54) TLR4SELP
SCHEMBL4193271 0.89 TLR4 (0.49) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL9347370 0.89 TLR4 (0.51) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL4193269 0.85 TLR4 (0.49) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL16289843 0.85 TLR4 (0.55) TLR4SELP
SCHEMBL8771563 0.85 TLR4 (0.49) TLR4LGALS8
SCHEMBL9347504 0.85 TLR4 (0.49) TLR4LGALS8
SCHEMBL9346790 0.85 TLR4 (0.49) TLR4LGALS8
SCHEMBL4626068 0.85 TLR4 (0.49) TLR4LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225774-B1 Process for preparing derivatives of maltose HAYASHIBARA BIOCHEM LAB (JP) 1994-07-27 EP disclosed
EP-0225774-A2 Process for preparing derivatives of maltose KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 1987-06-16 EP disclosed