SCHEMBL27435100

SCHEMBL27435100

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
NAAA Q02083 1/20 0.50
FAAH O00519 1/20 0.46
ACHE P22303 6/20 0.46
TSHR P16473 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
LPAR2 Q9HBW0 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
SCHEMBL7681798 0.94 NAAA (0.55) EPHX1NAAAFAAHACHETSHR
SCHEMBL7681788 0.94 NAAA (0.55) EPHX1NAAAFAAHACHETSHR
SCHEMBL7687964 0.94 NAAA (0.55) EPHX1NAAAFAAHACHETSHR
SCHEMBL9815159 0.94 NAAA (0.55) EPHX1NAAAFAAHACHETSHR
SCHEMBL7684054 0.94 NAAA (0.55) EPHX1NAAAFAAHACHETSHR
SCHEMBL27437792 0.92 ALDH1A1 (0.48) EPHX1NAAAFAAHACHETSHR
SCHEMBL27540604 0.92 NAAA (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL7682195 0.92 NAAA (0.52) EPHX1NAAAFAAHACHETSHR
SCHEMBL28077244 0.89 EPHX1 (0.49) EPHX1NAAAFAAHACHETSHR
SCHEMBL27435952 0.89 NAAA (0.50) EPHX1NAAAFAAHACHETSHR

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
CN-1121906-C Long-lived homogenous oxidation catalyst UNIV CARNEGIE MELLON (US) 2003-09-24 CN disclosed
CN-1230903-A Long-lived homogenous oxidation catalyst UNIV CARNEGIE MELLON (US) 1999-10-06 CN disclosed