SCHEMBL28239334

SCHEMBL28239334

CC(=O)OC(=O)COC(=O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.66
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.47
KLK7 P49862 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KLK6 Q92876 1/20 0.44
THRB P10828 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL248114 0.87 TSHR (0.58) PAMALDH1A1L3MBTL1MAPK1KMT2A
Acetic Acid SCHEMBL28845782 0.85 TSHR (0.56) PAMALDH1A1L3MBTL1MAPK1KMT2A
Ethane SCHEMBL10952941 0.85 TSHR (0.56) PAMALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL3673828 0.84 PAM (0.72) PAMALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL6988546 0.82 PAM (0.70) PAMALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL27338367 0.81 PAM (0.68) PAMALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL17928599 0.80 ALDH1A1 (0.63) PAMALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL5999038 0.80 PAM (0.78) PAMALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL3748732 0.80 PAM (1.00) PAMALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL10525631 0.79 ALDH1A1 (0.85) PAMALDH1A1L3MBTL1MAPK1KMT2A

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-108473305-A Dynamic reverse gas stack model for portable chemical detection devices to locate threats and point sources from effluent streams 北德克萨斯大学 2018-08-31 CN disclosed