SCHEMBL6934811

SCHEMBL6934811

CC(=O)OC(=O)c1ccc(C(=O)OC(C)=O)c(C(=O)OC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43
ALDH1A1 P00352 10/20 0.42
KDM4E B2RXH2 9/20 0.42
HSD17B10 Q99714 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37

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
SCHEMBL28378440 0.91 HSD17B10 (0.44) ITGB1ITGA5ALDH1A1KDM4EHSD17B10
SCHEMBL8062430 0.89 HSD17B10 (0.43) ITGB1ITGA5ALDH1A1KDM4EHSD17B10
SCHEMBL10791915 0.86 KDM4E (0.41) ITGB1ITGA5ALDH1A1KDM4EHSD17B10
SCHEMBL2838029 0.85 HSD17B10 (0.50) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL5709712 0.83 KDM4E (0.51) ALDH1A1KDM4EHSD17B10GAATSHR
SCHEMBL6936536 0.80 LCK (0.40) ITGB1ITGA5ALDH1A1KDM4EHSD17B10
SCHEMBL3775895 0.80 ALDH1A1 (0.47) ITGB1ITGA5ALDH1A1KDM4EHSD17B10
SCHEMBL123279 0.80 TSHR (0.47) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL6941398 0.79 PTPN11 (0.46) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8466485 0.78 KDM4E (0.46) ALDH1A1KDM4EHSD17B10GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed