SCHEMBL5147446

SCHEMBL5147446

C=CC(=O)OCCOC(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.54
HSD17B10 Q99714 8/20 0.54
HPGD P15428 5/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 2/20 0.54
ALDH1A1 P00352 9/20 0.49
KMT2A Q03164 2/20 0.49
PTK2B Q14289 1/20 0.49
TSHR P16473 3/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.44

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
SCHEMBL30886265 0.94 KDM4E (0.51) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL7167887 0.94 KDM4E (0.51) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL1248606 0.87 THRB (0.67) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL29670509 0.87 THRB (0.67) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL17034281 0.83 ALDH1A1 (0.74) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL5268362 0.83 THRB (0.54) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL1880446 0.82 ALDH1A1 (0.59) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL10869836 0.82 ALDH1A1 (0.59) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL6360137 0.82 TSHR (0.46) KDM4EHSD17B10HPGDMAPTTHRB
SCHEMBL5145768 0.82 THRB (0.52) KDM4EHSD17B10HPGDMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220529-B2 Photopolymerizable composition and recording material using the same FUJIFILM CORPORATION (JP) 2007-05-22 US disclosed
US-20050186504-A1 Photopolymerizable composition and recording material using the same FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed