SCHEMBL6938522

SCHEMBL6938522

O=C(OC(=O)c1cccc2c1-c1ccccc1C2=O)c1cccc2c1-c1ccccc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.66
NFE2L2 Q16236 1/20 0.66
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.53
POLB P06746 3/20 0.53
TP53 P04637 1/20 0.51
ATM Q13315 1/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 2/20 0.48
MITF O75030 1/20 0.47
TSHR P16473 1/20 0.47
MAPK10 P53779 1/20 0.47
PTK2B Q14289 1/20 0.47
NCOA1 Q15788 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL2386152 0.93 ALDH1A1 (0.68) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL6938020 0.86 NPC1 (0.53) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL2879389 0.86 MAPT (0.65) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL30393962 0.86 MAPT (0.65) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL6937072 0.85 NPC1 (0.71) KEAP1NFE2L2ALDH1A1L3MBTL1NPC1
SCHEMBL31670390 0.82 MAPT (0.68) KEAP1NFE2L2ALDH1A1KMT2AMEN1
SCHEMBL13800968 0.82 MAPT (0.68) KEAP1NFE2L2ALDH1A1KMT2AMEN1
SCHEMBL600330 0.81 ALDH1A1 (0.85) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL31276140 0.81 ALDH1A1 (0.85) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL30808237 0.81 ALDH1A1 (0.85) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190441-C Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2005-02-23 CN disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed