SCHEMBL17465792

SCHEMBL17465792

COC(C)COC(C)COC(C)COC(=O)OCC(C)OCC(C)OCC(C)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.30
LMNA P02545 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) TDP1MEN1LMNACYP3A4CYP2C9
SCHEMBL12262433 0.88 MAPT (0.40) TDP1MAPTMEN1LMNACYP3A4
SCHEMBL12425259 0.86 TDP1 (0.47) TDP1MAPT
SCHEMBL17461574 0.85 ALDH1A1 (0.48) TDP1MEN1LMNACYP3A4CYP2C9
SCHEMBL1470196 0.84 ALDH1A1 (0.39) TDP1MEN1LMNACYP3A4CYP2C9
SCHEMBL12262513 0.84 TDP1 (0.42) TDP1MAPT
SCHEMBL9964656 0.83 MAPT (0.37) TDP1MAPTMEN1LMNACYP3A4
SCHEMBL12262568 0.83 MAPT (0.37) TDP1MAPTMEN1LMNACYP3A4
SCHEMBL15315308 0.83 MAPT (0.37) TDP1MAPTMEN1LMNACYP3A4
SCHEMBL12262496 0.82 TDP1 (0.44) TDP1MAPT

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 1 patent. 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