SCHEMBL7816447

SCHEMBL7816447

CCCCOCC(C)O.CCCOC(C)COC(C)CO

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
HSD17B10 Q99714 1/20 0.52
USP2 O75604 2/20 0.47
HTT P42858 1/20 0.39
SPHK1 Q9NYA1 1/20 0.36
TSHR P16473 1/20 0.36
LPAR5 Q9H1C0 1/20 0.35
PLA2G2C Q5R387 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
LPAR1 Q92633 4/20 0.31
LPAR3 Q9UBY5 4/20 0.31
LPAR2 Q9HBW0 1/20 0.31
CASR P41180 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
SCHEMBL28049174 0.95 TDP1 (0.54) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL28417594 0.94 TDP1 (0.61) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL28102387 0.91 TDP1 (0.55) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL28360575 0.90 TDP1 (0.59) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL26109922 0.89 TDP1 (0.51) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL4317251 0.89 TDP1 (0.64) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL56119 0.89 TDP1 (0.58) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL28059789 0.88 TDP1 (0.55) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL27842521 0.88 TDP1 (0.49) TDP1HSD17B10USP2HTTSPHK1
SCHEMBL29004784 0.87 HSD17B10 (0.50) TDP1HSD17B10USP2HTTSPHK1

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-1080169-A1 ACIDIC CLEANING COMPOSITIONS WITH C10 ALKYL SULFATE DETERGENT SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2001-03-07 EP disclosed
WO-1999061569-A1 ACIDIC CLEANING COMPOSITIONS WITH C10 ALKYL SULFATE DETERGENT SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 1999-12-02 WO disclosed