SCHEMBL7789873

SCHEMBL7789873

CC(C)(C)OC(=O)c1cccc(C(=O)OC(C)(C)C)c1OOc1c(C(=O)OC(C)(C)C)cccc1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SLC7A5 Q01650 1/20 0.38
AR P10275 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM6 O15303 1/20 0.36

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
SCHEMBL7793318 0.93 ALDH1A1 (0.44) ADRA1AADRA1BSLC7A5ARTSHR
SCHEMBL7789877 0.93 ALDH1A1 (0.44) ADRA1AADRA1BSLC7A5ARTSHR
SCHEMBL7793315 0.93 ALDH1A1 (0.44) ADRA1AADRA1BSLC7A5ARTSHR
SCHEMBL30111657 0.83 TSHR (0.50) ADRA1AADRA1BCA1CA2CA9
SCHEMBL109178 0.83 TSHR (0.50) ADRA1AADRA1BCA1CA2CA9
SCHEMBL31410748 0.82 ALDH1A1 (0.44) ARMEN1NPC1RAB9AKMT2A
SCHEMBL6577373 0.82 GRM6 (0.43) ADRA1AADRA1BSLC7A5ARCA12
SCHEMBL14627192 0.82 AR (0.41) ADRA1AADRA1BSLC7A5ARCA12
Hydrogen Peroxide SCHEMBL29048859 0.81 TSHR (0.48) ADRA1AADRA1BMEN1NPC1HTT
SCHEMBL15110860 0.80 KMT2A (0.54) MEN1NPC1HTTRAB9AKMT2A

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-0898204-B1 Toner and image forming method CANON KK (JP) 2001-11-21 EP disclosed
US-5976752-A BLEND OF A BINDER, COLORANT AND WAX CANON KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
EP-0898204-A1 Toner and image forming method CANON KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed