SCHEMBL30409242

SCHEMBL30409242

CCCCCOC(=O)[C@H](COC(C)(C)C)N=C=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
EPHX1 P07099 1/20 0.35
TSHR P16473 4/20 0.34
HCAR2 Q8TDS4 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
RAD52 P43351 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL30945779 0.99 NAAA (0.39) NAAAEPHX1TSHRHCAR2NPSR1
SCHEMBL30945794 0.99 NAAA (0.39) NAAAEPHX1TSHRHCAR2NPSR1
SCHEMBL30227395 0.96 ALDH1A1 (0.37) NAAATSHRHCAR2MAPK1ALDH1A1
SCHEMBL30945834 0.90 MAPK1 (0.32) MAPK1
SCHEMBL28856630 0.83 MAPK1 (0.34) MAPK1ALDH1A1
SCHEMBL28856629 0.83 MAPK1 (0.34) MAPK1ALDH1A1
SCHEMBL16542989 0.80 NAAA (0.46) NAAAEPHX1TSHRHCAR2NPSR1
SCHEMBL2736223 0.79 MAPK1 (0.35) MAPK1
SCHEMBL27529753 0.78 NAAA (0.43) NAAAEPHX1TSHRHCAR2NPSR1
SCHEMBL2289546 0.77 NAAA (0.50) NAAAEPHX1TSHRMAPK1NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed