SCHEMBL11290294

SCHEMBL11290294

CCCOC(C)COC(C)COC(C)COC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
NAAA Q02083 1/20 0.41
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
GAA P10253 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
SCHEMBL5918169 0.96 NAAA (0.44) TDP1NAAAMAPTHSD17B10ALDH1A1
SCHEMBL446059 0.85 NAAA (0.50) TDP1NAAAMAPTALDH1A1LMNA
SCHEMBL2700961 0.85 NAAA (0.35) TDP1NAAAMAPTHSD17B10ALDH1A1
SCHEMBL27625736 0.84 TSHR (0.38) TDP1NAAAMAPTALDH1A1LMNA
SCHEMBL21976890 0.84 NAAA (0.58) NAAAMAPTALDH1A1LMNAKDM4E
SCHEMBL223951 0.83 NAAA (0.34) TDP1NAAAMAPTALDH1A1TSHR
SCHEMBL896813 0.83 TDP1 (0.44) TDP1HSD17B10ALDH1A1LMNATSHR
SCHEMBL20210831 0.83 TDP1 (0.44) TDP1HSD17B10ALDH1A1LMNATSHR
SCHEMBL6062790 0.83 NAAA (0.34) TDP1NAAAMAPTALDH1A1LMNA
SCHEMBL181619 0.83 NAAA (0.34) TDP1NAAAMAPTALDH1A1LMNA

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
US-4322550-A HIGH-SPEED SOLVENT EXTRACTION FROM AN AQUEOUS SOLUTION PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US claimed
US-4322550-A HIGH-SPEED SOLVENT EXTRACTION FROM AN AQUEOUS SOLUTION PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US disclosed