SCHEMBL17459104

SCHEMBL17459104

CC(=O)OCCOCCOCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 3/20 0.48
NAAA Q02083 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL755347 0.98 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNATSHRNAAA
SCHEMBL28461120 0.95 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRNAAA
SCHEMBL9192089 0.88 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNATSHRNAAA
SCHEMBL17459122 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNATSHRTDP1
SCHEMBL3543222 0.85 LMNA (0.53) ALDH1A1SMN1; SMN2LMNATSHRNAAA
SCHEMBL3543227 0.85 LMNA (0.53) ALDH1A1SMN1; SMN2LMNATSHRNAAA
SCHEMBL13316186 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRTDP1SLC6A2
SCHEMBL488918 0.83 THRB (0.53) ALDH1A1SMN1; SMN2LMNATSHRNAAA
SCHEMBL28318418 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNATSHRNAAA
SCHEMBL8506264 0.83 TSHR (0.54) ALDH1A1SMN1; SMN2LMNATSHRNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218162-A1 RECYCLING PROCESS WORN AGAIN TECHNOLOGIES LIMITED (GB) 2017-08-03 US claimed
EP-3172267-A1 RECYCLING PROCESS Worn Again Footwear And Accessories Limited (GB) 2017-05-31 EP claimed
WO-2016012755-A1 RECYCLING PROCESS WORN AGAIN FOOTWEAR AND ACCESSORIES LIMITED (GB) 2016-01-28 WO claimed
CN-110804082-A Cholic acid derivative and preparation method and application thereof 中国医学科学院医药生物技术研究所 2020-02-18 CN disclosed
US-20190345306-A1 RECYCLING PROCESS WORN AGAIN TECHNOLOGIES LIMITED (GB) 2019-11-14 US disclosed
US-20170218162-A1 RECYCLING PROCESS WORN AGAIN TECHNOLOGIES LIMITED (GB) 2017-08-03 US disclosed
EP-3172267-A1 RECYCLING PROCESS Worn Again Footwear And Accessories Limited (GB) 2017-05-31 EP disclosed
WO-2016012755-A1 RECYCLING PROCESS WORN AGAIN FOOTWEAR AND ACCESSORIES LIMITED (GB) 2016-01-28 WO disclosed