SCHEMBL5503987

SCHEMBL5503987

CC(O)C=COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNN4 O15554 1/20 0.32
KIF11 P52732 1/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32

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
SCHEMBL993539 1.00 ALDH1A1 (0.35) ALDH1A1ALOX15ESR1ESR2CYP2D6
SCHEMBL7514202 0.77 LMNA (0.37) ALDH1A1ALOX15ESR1ESR2CYP2D6
SCHEMBL26131423 0.77 LMNA (0.37) ALDH1A1ALOX15ESR1ESR2CYP2D6
SCHEMBL7523023 0.71 LMNA (0.34) ALDH1A1ALOX15KDM4ELMNAKCNN4
SCHEMBL16062155 0.70 ALDH1A1 (0.41) ALDH1A1ALOX15ESR1ESR2CYP2D6
SCHEMBL2350015 0.69 MAPK1 (0.42) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL10357812 0.69 KIF11 (0.40) ALDH1A1ALOX15ESR1ESR2CYP1A2
SCHEMBL8996775 0.68 MAOB (0.42) ALDH1A1CYP2D6CYP1A2MAPTLMNA
SCHEMBL5899999 0.67 ALDH1A1 (0.39) ALDH1A1ALOX15ESR1ESR2CYP2D6
SCHEMBL6719426 0.67 RCE1 (0.43) ALDH1A1KDM4ELMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665731-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2013-11-27 EP disclosed
EP-2665716-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2013-11-27 EP disclosed
WO-2012100179-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
WO-2012098461-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
EP-1425013-A4 COMPOSITIONS THAT BIND ANTITERMINATOR RNA AND ASSAY FOR SCREENING FOR SUCH COMPOSITIONS HINES JENNIFER V (US) 2007-02-07 EP disclosed
EP-1425013-A2 COMPOSITIONS THAT BIND ANTITERMINATOR RNA AND ASSAY FOR SCREENING FOR SUCH COMPOSITIONS Hines, Jennifer V. (US) 2004-06-09 EP disclosed
WO-2003018762-A2 COMPOSITIONS THAT BIND ANTITERMINATOR RNA AND THEIR ASSAYS HINES JENNIFER V (US) 2003-03-06 WO disclosed