SCHEMBL30995658

SCHEMBL30995658

CCCCCOCCCOC(=O)CC

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.80
RAD52 P43351 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FAAH O00519 1/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.49
CES2 O00748 2/20 0.48
EPHX1 P07099 1/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
DNM1 Q05193 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL1092256 0.98 NAAA (0.84) NAAARAD52NPSR1FAAHDGKA
SCHEMBL20293873 0.94 NAAA (0.76) NAAARAD52NPSR1FAAHDGKA
SCHEMBL448126 0.94 NAAA (0.69) NAAARAD52NPSR1FAAHDGKA
SCHEMBL2254832 0.92 NAAA (0.73) NAAARAD52NPSR1FAAHDGKA
SCHEMBL11409696 0.91 NAAA (0.71) NAAARAD52NPSR1FAAHDGKA
SCHEMBL20847 0.91 NAAA (0.95) NAAARAD52NPSR1FAAHDGKA
SCHEMBL13412099 0.90 NAAA (0.77) NAAARAD52NPSR1FAAHDGKA
SCHEMBL11694217 0.90 NAAA (0.77) NAAARAD52NPSR1FAAHDGKA
SCHEMBL20293877 0.89 NAAA (0.69) NAAARAD52NPSR1FAAHDGKA
SCHEMBL448036 0.89 NAAA (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292184-B Preparation method of 3-pentoxy propyl ester 昌德新材科技股份有限公司 2024-08-06 CN disclosed