SCHEMBL16348281

SCHEMBL16348281

[3H]C(SC(=O)OCc1ccccc1)SC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
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
LMNA P02545 3/20 0.47
HCAR2 Q8TDS4 1/20 0.47
CDC25B P30305 1/20 0.46
IDO1 P14902 2/20 0.46
P2RX4 Q99571 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL1722103 0.83 IDO1 (0.65) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL24678431 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL30311836 0.80 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9646712 0.80 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8310153 0.79 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL26726536 0.77 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15956609 0.77 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL29716598 0.77 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18515958 0.77 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3075682 0.77 ALDH1A1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524875-B2 Modified bio-related substance, process for producing the same, and intermediate NOF CORPORATION (JP) 2009-04-28 US disclosed