SCHEMBL7789877

SCHEMBL7789877

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 1/20 0.44
ALOX15 P16050 2/20 0.42
SLC7A5 Q01650 1/20 0.38
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BLM P54132 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 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
SCHEMBL7793315 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL7793318 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL7789873 0.93 ADRA1A (0.39) ALDH1A1HSD17B10ALOX15SLC7A5TSHR
SCHEMBL722115 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDALOX15
SCHEMBL30339401 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDALOX15
SCHEMBL6577861 0.81 ALOX15 (0.43) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL22531360 0.81 NR4A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL31330407 0.81 ALOX15 (0.43) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL29471973 0.81 NR4A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL2000365 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EHPGDMAPK1

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