SCHEMBL30945786

SCHEMBL30945786

CCCCCCCCCCCCc1cccc(OC(N)=O)c1CCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
PPARG P37231 2/20 0.54
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
SAE1 Q9UBE0 2/20 0.47
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT5 Q92993 1/20 0.47
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1954356 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL30945813 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL30945780 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1951559 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1839790 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1838288 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1955870 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1955601 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1953805 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL30945814 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5

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-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