SCHEMBL55075

SCHEMBL55075

CC(C)(C)OC(=O)c1cccc([O])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
STAT3 P40763 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL110296 0.88 SLC7A5 (0.58) SLC7A5STAT3GABRA1GABRG2GABRB3
Water SCHEMBL28897664 0.86 SLC7A5 (0.56) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL28350987 0.86 SLC7A5 (0.56) SLC7A5STAT3GABRA1GABRG2GABRB3
Hydrogen Peroxide SCHEMBL27146001 0.86 SLC7A5 (0.60) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL2107215 0.81 PARP1 (0.53) SLC7A5ESR1ESR2NPC1RAB9A
SCHEMBL13026720 0.81 SLC7A5 (0.56) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL40750 0.81 SLC7A5 (0.56) SLC7A5STAT3ALDH1A1TSHRHSD17B10
SCHEMBL2344130 0.81 SLC7A5 (0.52) SLC7A5TDP1CA12CA1CA2
SCHEMBL30163785 0.81 SLC7A5 (0.56) SLC7A5STAT3ALDH1A1TSHRHSD17B10
SCHEMBL68806 0.81 ESR1 (0.53) SLC7A5STAT3GABRA1GABRG2GABRB3

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 209 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894898-B2 Water-based ink for ink-jet recording and ink container BROTHER KOGYO KABUSHIKI KAISHA (JP) 2021-01-19 US disclosed
EP-3492539-B1 PIGMENT DISPERSION AND INKJET INK FUJIFILM CORP (JP) 2020-12-30 EP disclosed
EP-3199603-B1 INK JET PRINTING PENETRANT, INK JET PRINTING METHOD, AND INK JET PRINTING APPARATUS SEIKO EPSON CORP (JP) 2020-04-15 EP disclosed
WO-2019151412-A1 INK SET AND INKJET RECORDING METHOD 富士フイルム株式会社 2019-08-08 WO disclosed
EP-3492539-A1 PIGMENT DISPERSION AND INKJET INK FUJI-FILM Corporation (JP) 2019-06-05 EP disclosed
US-20190153231-A1 PIGMENT DISPERSION LIQUID AND INKJET INK FUJIFILM CORPORATION (JP) 2019-05-23 US disclosed
US-20180282563-A1 Water-Based Ink for Ink-Jet Recording and Ink Container BROTHER KOGYO KABUSHIKI KAISHA (JP) 2018-10-04 US disclosed
EP-2474574-B1 PROCESS FOR PRODUCTION OF AZO PIGMENT, AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORP (JP) 2018-08-08 EP disclosed
EP-2599837-B1 NOVEL AZO COMPOUND, AQUEOUS SOLUTION, INK COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INK CARTRIDGE FOR INKJET RECORDING AND INKJET RECORDING FUJIFILM CORP (JP) 2018-05-09 EP disclosed
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
US-20060203059-A1 Ink composition, ink cartridge, inkjet recording method, and recorded matter SEIKO EPSON CORPORATION 2006-09-14 US disclosed
EP-1700889-A1 Ink composition, ink cartridge, inkjet recording method, and recorded matter SEIKO EPSON CORPORATION (JP) 2006-09-13 EP disclosed
EP-1676891-A1 INK COMPOSITION AND INKJET RECORDING METHOD AND RECORDED MATTER USING THE SAME SEIKO EPSON CORPORATION (JP) 2006-07-05 EP disclosed
US-20060050118-A1 Ink jet printer, ink jet recording method, and recorded matter SEIKO EPSON CORPORATION 2006-03-09 US disclosed
US-20050183630-A1 Ink composition, inkjet recording method and recorded matter SEIKO EPSON CORPORATION 2005-08-25 US disclosed
EP-1561790-A1 Ink composition, inkjet recording method and recorded matter SEIKO EPSON CORPORATION (JP) 2005-08-10 EP disclosed
US-20040187232-A1 Coloring composition and inkjet recording method FUJI PHOTO FILM CO., LTD. 2004-09-30 US disclosed
EP-1437388-A1 Coloring composition and inkjet recording method FUJI PHOTO FILM CO., LTD. (JP) 2004-07-14 EP disclosed
CN-1100771-C Phosphononooxymethyl ethers of taxame derivatives BRISTOL MYERS SQUIBB CO (US) 2003-02-05 CN disclosed
CN-1051315-C Phosphonooxymethyl ethers of taxane derivatives BRISTOL MYERS SQUIBB CO (US) 2000-04-12 CN disclosed