SCHEMBL28543740

SCHEMBL28543740

CCC(=O)C(N)(C(=O)CC)C(N)(C(=O)CC)C(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
FFAR3 O14843 1/20 0.39
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FDPS P14324 1/20 0.31
ALOX15 P16050 1/20 0.30
SOAT1 P35610 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL64125 0.78
SCHEMBL509484 0.76 ALDH1A1 (0.41) ALDH1A1TDP1FFAR3SOAT1TSHR
Hydrochloric Acid SCHEMBL28343101 0.75
Hydrochloric Acid SCHEMBL7850163 0.73 ALDH1A1 (0.43) ALDH1A1TDP1FFAR3MEN1CYP1A2
Hydrochloric Acid SCHEMBL15468111 0.73
SCHEMBL24114391 0.73
SCHEMBL6535201 0.73 TDP1 (0.33) ALDH1A1TDP1FFAR3FDPS
Iodide SCHEMBL18439039 0.73 ALDH1A1 (0.43) ALDH1A1TDP1FFAR3MEN1CYP1A2
SCHEMBL21319375 0.71 ARG1 (0.34) ALDH1A1TDP1FFAR3CYP1A2
SCHEMBL22249000 0.71

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-109537278-B Nitrogen-phosphorus flame retardant and preparation method thereof 吉林化工学院 2021-04-13 CN disclosed