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Sugi Predict / Compounds / SCHEMBL10046328

SCHEMBL10046328

SCHEMBL10046328

CCCCCCCCCCCCC(C)(C)OCC(C)(CC)OC(=O)[C@H](C)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ CES2 O00748 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ DUSP3 P51452 1/20 0.31

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
SCHEMBL10046362 1.00 MAPT (0.36) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL10046538 0.88 MAPT (0.37) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL806041 0.84 MAPT (0.36) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL17560015 0.81 MAPT (0.40) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL18826091 0.81 MAPT (0.36) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL18826095 0.81 MAPT (0.36) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL18826093 0.81 MAPT (0.36) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL29166710 0.76 CA1 (0.40) MAPTLMNAKDM4EDUSP3
SCHEMBL10046411 0.75 MAPT (0.40) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL806034 0.75 MAPT (0.40) MAPTMEN1KMT2ALMNAKDM4E

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-2012037475-A1 NOVEL COMPOSITIONS AND METHODS CHEMSMART, LLC (US) 2012-03-22 — — WO disclosed