SCHEMBL14529284

SCHEMBL14529284

O=C(CCCCCO)OCCCCCC(=O)OCCOC(=O)CCC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.42
▸ DGKA P23743 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NAAA Q02083 4/20 0.40
▸ KLK7 P49862 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ASAH1 Q13510 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL31323803 0.84 EPHX1 (0.48) EPHX1SMN1; SMN2NAAAKLK7MEN1
SCHEMBL29089247 0.81 NAAA (0.53) DGKASMN1; SMN2NAAAMEN1MAPT
SCHEMBL11589093 0.81 SMN1; SMN2 (0.46) EPHX1SMN1; SMN2NAAAKLK7MEN1
SCHEMBL8084714 0.80 EPHX2 (0.54) EPHX1DGKASMN1; SMN2NAAAMEN1
SCHEMBL11652022 0.80 DGKA (0.56) DGKANAAAGAA
SCHEMBL11657858 0.80 DGKA (0.56) DGKANAAAGAA
SCHEMBL740478 0.80 DGKA (0.56) DGKANAAAGAA
SCHEMBL17335282 0.80 DGKA (0.56) DGKANAAAGAA
SCHEMBL8714302 0.80 DGKA (0.56) DGKANAAAGAA
SCHEMBL12802818 0.80 DGKA (0.56) DGKANAAAGAA

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-2007060125-A1 REACTIVE SILICON OXIDE FLAKES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-05-31 — — WO disclosed
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