SCHEMBL806034

SCHEMBL806034

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 4/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
FDPS P14324 2/20 0.33

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
SCHEMBL10046411 1.00 MAPT (0.40) MAPTFAAHLMNAALDH1A1KDM4E
SCHEMBL10069691 0.82 FAAH (0.35) MAPTFAAHLMNAALDH1A1MEN1
SCHEMBL10046538 0.78 MAPT (0.37) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL18826093 0.77 MAPT (0.36) MAPTLMNAMEN1KMT2A
SCHEMBL18826095 0.77 MAPT (0.36) MAPTLMNAMEN1KMT2A
SCHEMBL18826091 0.77 MAPT (0.36) MAPTLMNAMEN1KMT2A
SCHEMBL17560015 0.76 MAPT (0.40) MAPTLMNAMEN1KMT2A
SCHEMBL10046362 0.75 MAPT (0.36) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL10046328 0.75 MAPT (0.36) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL3320520 0.74 FAAH (0.65) MAPTFAAHALDH1A1GPR84FFAR1

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