SCHEMBL9257908

SCHEMBL9257908

CCCCCCOC(=O)CC1OC1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FAAH O00519 1/20 0.47
DGKA P23743 1/20 0.47
HTR2C P28335 1/20 0.46
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.43
PRKCA P17252 2/20 0.42

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
SCHEMBL9577836 1.00 NAAA (0.56) NAAARAD52NPSR1FAAHDGKA
SCHEMBL20161314 0.88 NAAA (0.47) NAAARAD52NPSR1FAAHDGKA
SCHEMBL14827529 0.83 NAAA (0.53) NAAARAD52NPSR1FAAHDGKA
SCHEMBL27566678 0.80 NAAA (0.49) NAAARAD52NPSR1FAAHDGKA
SCHEMBL20161949 0.79 MAPK1 (0.50) NAAARAD52NPSR1FAAH
SCHEMBL20161705 0.79 MAPK1 (0.50) NAAARAD52NPSR1FAAH
SCHEMBL3069917 0.76 NAAA (0.56) NAAARAD52NPSR1FAAHDGKA
SCHEMBL14967824 0.75 NAAA (0.50) NAAARAD52NPSR1FAAHEPHX1
SCHEMBL8978090 0.75 NAAA (0.60) NAAARAD52NPSR1FAAHDGKA
SCHEMBL11829337 0.75 NAAA (0.60) NAAARAD52NPSR1FAAHDGKA

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-0394838-B1 Process for the preparation of 3,4-epoxyalkane- and/or 4-hydroxy-2-alkene carbonic acids and their esters BASF AG (DE) 1995-07-05 EP disclosed
EP-0394838-A1 Process for the preparation of 3,4-epoxyalkane- and/or 4-hydroxy-2-alkene carbonic acids and their esters BASF Aktiengesellschaft (DE) 1990-10-31 EP disclosed