SCHEMBL7185216

SCHEMBL7185216

NOCC(=O)OC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
IDO1 P14902 1/20 0.47
AGXT P21549 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 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
SCHEMBL6476593 0.86 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL11908508 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL2793142 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27622821 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL48133 0.82 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL28039282 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL25998483 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL10459697 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL31709800 0.79 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL550350 0.79 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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
US-20030027722-A1 Influencing the activity of plant growth regulators PLANT RESEARCH INTERNATIONAL B.V. (NL) 2003-02-06 US claimed