SCHEMBL29580679

SCHEMBL29580679

CCCCCCCCCc1ccccc1NC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.51
POLB P06746 1/20 0.51
SLC16A3 O15427 4/20 0.50
BID P55957 3/20 0.48
MCL1 Q07820 3/20 0.48
BCL2L1 Q07817 2/20 0.48
BAK1 Q16611 2/20 0.48
KAT8 Q9H7Z6 2/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
EP300 Q09472 1/20 0.48
KAT2A Q92830 1/20 0.48
KAT2B Q92831 1/20 0.48
KAT5 Q92993 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46

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
SCHEMBL28938797 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL29581079 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL29580702 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL29582213 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL28673236 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL29581258 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL28938813 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL1955161 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL1953695 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1
SCHEMBL1955409 1.00 LIPG (0.51) LIPGPOLBSLC16A3BIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed