SCHEMBL20243293

SCHEMBL20243293

CC(=O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
HCAR2 Q8TDS4 1/20 0.51
CCR6 P51684 1/20 0.50
PAX8 Q06710 1/20 0.50
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 2/20 0.49
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.45
AKR1B10 O60218 1/20 0.45

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
SCHEMBL30263351 0.96 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23651643 0.84 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23651641 0.83 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20921393 0.82 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8504139 0.82 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6252907 0.81 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Benzyl Dimethylcarbamate SCHEMBL5134244 0.81 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Benzyl Dimethylcarbamate SCHEMBL20401678 0.81 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Benzyl Dimethylcarbamate SCHEMBL14031385 0.81 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7694380 0.81 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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
US-10035640-B2 Oxygen-absorbing multilayer body, oxygen-absorbing container, oxygen-absorbing airtight container, oxygen-absorbing push-through pack, and storage method using same MITSUBISHI HAS CHEMICAL COMPANY, INC. (JP) 2018-07-31 US disclosed
US-9994382-B2 Oxygen-absorbing medical multilayer container and method for storing biological medicine MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-06-12 US disclosed