SCHEMBL9339261

SCHEMBL9339261

CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c([O])c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
NAAA Q02083 1/20 0.45
HTR2C P28335 1/20 0.44
CNR2 P34972 5/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 4/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
EPHX2 P34913 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
P2RY10 O00398 1/20 0.41

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
SCHEMBL14432516 0.91 DGKA (0.47) DGKANAAAHTR2CCNR2THRA
SCHEMBL284382 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA
SCHEMBL284357 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA
SCHEMBL283853 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA
Octane SCHEMBL21828749 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA
SCHEMBL17491243 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA
SCHEMBL13899816 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA
SCHEMBL208070 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA
SCHEMBL2050437 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA
SCHEMBL754404 0.91 GAA (0.53) DGKANAAAHTR2CCNR2THRA

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
EP-0280938-B1 Antioxidant aromatic fluorophosphites ETHYL CORP (US) 1994-06-15 EP disclosed
EP-0280938-A1 Antioxidant aromatic fluorophosphites ALBEMARLE CORPORATION (US) 1988-09-07 EP disclosed