SCHEMBL29233168

SCHEMBL29233168

CCCNCC(=O)O.N=C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PAOX Q6QHF9 1/20 0.36
DPP4 P27487 1/20 0.35
AKR1B1 P15121 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 7/20 0.33
PPARD Q03181 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
PTPN1 P18031 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
SCHEMBL497749 0.89
SCHEMBL29233103 0.88 GAA (0.44) DPP4AKR1B1GPR84PPARGPPARD
Hydrochloric Acid SCHEMBL5595969 0.86
Ammonia Solution, Strong SCHEMBL4736707 0.86
SCHEMBL29142105 0.86
SCHEMBL29233157 0.86 AKR1B1 (0.45) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL29233131 0.84 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL29233116 0.84 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25121441 0.84 PAOX (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4969545 0.84 PAOX (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8

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
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