SCHEMBL17461574

SCHEMBL17461574

CCOC(=O)OCC(C)OCC(C)OCC(C)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SOAT1 P35610 1/20 0.40
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS1 P23219 1/20 0.30
APEX1 P27695 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17461586 0.92 TSHR (0.33) ALDH1A1LMNATDP1MEN1CYP3A4
SCHEMBL1469075 0.92 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10TDP1
SCHEMBL17465792 0.85 TDP1 (0.43) LMNATDP1MEN1CYP3A4CYP2C9
SCHEMBL1470198 0.84 ALDH1A1 (0.43) ALDH1A1SOAT1
SCHEMBL1470043 0.84 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10TDP1
SCHEMBL1470196 0.84 ALDH1A1 (0.39) ALDH1A1SOAT1LMNATDP1MEN1
SCHEMBL12751982 0.82
SCHEMBL12751965 0.82
SCHEMBL1469499 0.80 ALDH1A1 (0.46) ALDH1A1SOAT1LMNAHSD17B10TDP1
SCHEMBL26393426 0.80 TSHR (0.45) ALDH1A1LMNAHSD17B10TDP1MEN1

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
WO-2016012342-A1 POLYOXYGENATED COMPOUNDS AS ANTI-SOOT ADDITIVES FOR A FUEL RHODIA OPERATIONS (FR) 2016-01-28 WO disclosed
EP-2977434-A1 Polyoxygenated compounds as anti-soot additives for fuel Rhodia Opérations (FR) 2016-01-27 EP disclosed