SCHEMBL628706

SCHEMBL628706

C=C(C)C(=O)OCC(C)C.C=CC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 4/20 0.45
HCAR2 Q8TDS4 1/20 0.44
LMNA P02545 1/20 0.43
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
THRB P10828 1/20 0.40
TGM2 P21980 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL6862165 0.95 TSHR (0.54) TSHRALDH1A1HCAR2LMNAAKR1B10
SCHEMBL4170802 0.89 ALDH1A1 (0.53) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL628109 0.87 ALDH1A1 (0.50) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL28246245 0.85 ALDH1A1 (0.49) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Methacrylic Acid SCHEMBL28171879 0.84 HCAR2 (0.50) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL28311598 0.84 ALDH1A1 (0.47) TSHRALDH1A1HCAR2LMNAAKR1B10
Methacrylic Acid SCHEMBL6054004 0.83 ALDH1A1 (0.56) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL1395905 0.83 ALDH1A1 (0.46) TSHRALDH1A1HCAR2LMNAAKR1B10
Acrylic Acid Ethyl Ester SCHEMBL3690840 0.83 ALDH1A1 (0.49) ALDH1A1HCAR2LMNATHRBTGM2
SCHEMBL15510678 0.83 HCAR2 (0.47) TSHRALDH1A1HCAR2LMNAAKR1B10

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-2042325-B1 Image forming method and apparatus FUJIFILM CORP (JP) 2012-02-22 EP disclosed
EP-2123461-B1 Image forming method FUJIFILM CORP (JP) 2011-04-20 EP disclosed
EP-2123462-B1 Inkjet recording method and apparatus FUJIFILM CORP (JP) 2011-04-13 EP disclosed