SCHEMBL27435952

SCHEMBL27435952

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 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
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 6/20 0.42
ESR1 P03372 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 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
SCHEMBL29098793 0.98 NAAA (0.47) NAAAEPHX1MEN1MAPTKMT2A
SCHEMBL7681798 0.94 NAAA (0.55) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL7681788 0.94 NAAA (0.55) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL9815159 0.94 NAAA (0.55) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL7687964 0.94 NAAA (0.55) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL7684054 0.94 NAAA (0.55) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL27434075 0.92 ALDH1A1 (0.48) NAAAEPHX1MEN1MAPTKMT2A
SCHEMBL27540604 0.92 NAAA (0.53) NAAAEPHX1ATMTSHRHCAR2
SCHEMBL7682195 0.92 NAAA (0.52) NAAAEPHX1ATMTSHRHCAR2
SCHEMBL27435100 0.89 EPHX1 (0.52) NAAAEPHX1TSHRHCAR2RAD52

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