SCHEMBL19105378

SCHEMBL19105378

CCOC(=O)CC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
MMP8 P22894 1/20 0.50
TSHR P16473 1/20 0.49
SLC15A1 P46059 2/20 0.47
LMNA P02545 1/20 0.47
PPID Q08752 1/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NR1H4 Q96RI1 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
SCHEMBL3959738 0.94 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1MMP8TSHR
SCHEMBL28154515 0.84 SLC15A1 (0.52) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL2858801 0.84 SLC15A1 (0.51) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL19105434 0.84 MMP8 (0.48) ALDH1A1MMP8TSHRPPIDTDP1
SCHEMBL7060682 0.83 MMP8 (0.56) ALDH1A1L3MBTL1MAPK1MMP8TSHR
SCHEMBL27766459 0.82 SLC15A1 (0.52) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL19105347 0.81 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1SLC15A1LMNA
SCHEMBL14744437 0.81 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPK1MMP8TSHR
SCHEMBL28652362 0.81 SLC15A1 (0.48) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL28652363 0.81 SLC15A1 (0.48) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1

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-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed