SCHEMBL9082185

SCHEMBL9082185

CCC=CCC=CCC=CCCCCCCCC(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
F7 P08709 2/20 0.46
F3 P13726 2/20 0.46
MAPT P10636 2/20 0.46
CYP19A1 P11511 2/20 0.46
NR1I2 O75469 2/20 0.46
PTGS2 P35354 2/20 0.46
OXER1 Q8TDS5 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
PLA2G1B P04054 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL10385049 1.00 TLR4 (0.52) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL2196896 0.93 TLR4 (0.59) TLR4CETP
SCHEMBL2196886 0.93 TLR4 (0.59) TLR4CETP
SCHEMBL5436079 0.93 TLR4 (0.59) TLR4CETP
SCHEMBL1758430 0.93 TLR4 (0.59) TLR4CETP
SCHEMBL2196892 0.93 TLR4 (0.59) TLR4CETP
SCHEMBL2201431 0.93 TLR4 (0.59) TLR4CETP
SCHEMBL9347370 0.93 TLR4 (0.51) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL4193269 0.90 TLR4 (0.49) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL4193271 0.90 TLR4 (0.49) TLR4ALDH1A1CYP3A4ALOX15HSD17B10

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-0719318-A1 A METHOD FOR REMOVING SILICONE FLUIDS NOVO NORDISK A/S (DK) 1996-07-03 EP disclosed
WO-1995007967-A1 A METHOD FOR REMOVING SILICONE FLUIDS NOVO NORDISK A/S (DK) 1995-03-23 WO disclosed