SCHEMBL29014489

SCHEMBL29014489

O=CCCOC(=O)CCCC(=O)OCCC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.45
MGLL Q99685 1/20 0.40
MAPT P10636 4/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
DNM1 Q05193 1/20 0.37
BLM P54132 1/20 0.37
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL28860910 0.90 ADRA2A (0.46) DGKAMGLLMAPTTSHRALDH1A1
SCHEMBL28562500 0.90 CYP1A2 (0.52) DGKAMGLLMAPTTSHRALDH1A1
SCHEMBL28860837 0.87 LMNA (0.44) DGKAMAPTTSHRALDH1A1BLM
SCHEMBL3672432 0.84 DGKA (0.71) DGKAMGLLMAPTTSHRALDH1A1
SCHEMBL17075879 0.84 DGKA (0.71) DGKAMGLLMAPTTSHRALDH1A1
SCHEMBL10403027 0.84 DGKA (0.71) DGKAMGLLMAPTTSHRALDH1A1
SCHEMBL27605007 0.84 MGLL (0.39) DGKAMGLLMAPTTSHRALDH1A1
SCHEMBL5255945 0.82 DGKA (0.47) DGKAMGLLMAPTTSHRALDH1A1
SCHEMBL12938723 0.80 DGKA (0.50) DGKAMGLLTSHRALDH1A1DNM1
SCHEMBL10311843 0.80 ADRA2A (0.39) DGKAMGLLMAPTTSHRALDH1A1

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-112778133-B high-pH chrome tanning auxiliary agent containing multifunctional structure, and preparation method and application thereof 南京工业大学 2023-06-16 CN disclosed