SCHEMBL6937072

SCHEMBL6937072

O=C(OC(=O)c1cccc2c1C(=O)c1ccccc1-2)c1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
ALDH1A1 P00352 5/20 0.68
MAPT P10636 3/20 0.68
LMNA P02545 3/20 0.68
L3MBTL1 Q9Y468 1/20 0.58
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54
POLB P06746 2/20 0.51
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 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) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6938020 0.86 NPC1 (0.53) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL21840821 0.86 NPC1 (0.71) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6938522 0.85 KEAP1 (0.66) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL7825548 0.83 NPC1 (0.52) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL581124 0.81 ALDH1A1 (1.00) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL4343114 0.80 NPC1 (0.56) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL7829487 0.79 KEAP1 (0.73) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL5729760 0.79 ALDH1A1 (0.70) NPC1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL8279098 0.79 ALDH1A1 (0.70) NPC1ALDH1A1MAPTLMNAL3MBTL1

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