SCHEMBL17545802

SCHEMBL17545802

O=C(OCc1ccccc1)C(=O)C(=O)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 3/20 0.55
HCAR2 Q8TDS4 1/20 0.55
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL19472576 0.91 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27144 0.91 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL931107 0.86 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20022970 0.86 TDP1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7640295 0.85 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL30022811 0.84 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7806540 0.84 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Water SCHEMBL27549869 0.83 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7173492 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234395 0.83 ALDH1A1 (0.70) 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-9273179-B2 Decomposable polymer RICOH COMPANY, LTD. (JP) 2016-03-01 US disclosed