SCHEMBL8433924

SCHEMBL8433924

CCCCC(C)COP(OCC(C)CCCC)OCC(C)CCCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.39
CYP3A4 P08684 2/20 0.32
ACE2 Q9BYF1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8437751 0.91 ACE2 (0.42) DNM1ACE2OPRM1
SCHEMBL8439663 0.84 DNM1 (0.37) DNM1CYP3A4ACE2L3MBTL1OPRM1
SCHEMBL8434328 0.84 DNM1 (0.37) DNM1CYP3A4ACE2L3MBTL1OPRM1
SCHEMBL9327738 0.77 ACE2 (0.42) DNM1ACE2OPRM1
SCHEMBL786298 0.77 CYP3A4 (0.38) DNM1CYP3A4ACE2L3MBTL1OPRM1
SCHEMBL27635146 0.77 DNM1 (0.38) DNM1CYP3A4ACE2L3MBTL1OPRM1
SCHEMBL8433524 0.76 ACE2 (0.46) DNM1ACE2OPRM1
SCHEMBL8436440 0.76 ACE2 (0.46) DNM1ACE2OPRM1
SCHEMBL13701664 0.75
SCHEMBL12112393 0.75

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-5922654-A TWO OR MORE ORGANOMETALLIC COMPOUNDS WHERE THE METAL IS A TRANSITION METAL OR SEMIMETAL, OR ZINC; FOR EXAMPLE, ZINC DIALKYLDITHIOPHOSPHATE, OR NICKEL DIALKYLDITHIOCARBAMATE; HIGHER LOAD BEARING PROPERTIES, HIGH TEMPERATURE PERFORMANCE NSK LTD. (JP) 1999-07-13 US disclosed
US-4251425-A Polycarbonate resin composition TEIJIN CHEMICALS, LTD. (JP) 1981-02-17 US disclosed