SCHEMBL28322754

SCHEMBL28322754

CCCCOC(=O)C(C)=C(OOC(C(=O)c1ccccc1)=C(C)C(=O)OCCCC)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TSHR P16473 5/20 0.46
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL9815576 0.83 TSHR (0.53) KDM4ETSHRCES2CES1L3MBTL1
SCHEMBL9095382 0.83 CES2 (0.56) KDM4ETSHRCES2CES1L3MBTL1
SCHEMBL28294255 0.82 TSHR (0.51) KDM4ETSHRCES2CES1L3MBTL1
SCHEMBL10872831 0.80 CES2 (0.53) KDM4ETSHRCES2CES1L3MBTL1
SCHEMBL7625368 0.80 CES2 (0.53) KDM4ETSHRCES2CES1L3MBTL1
SCHEMBL7625356 0.79 TSHR (0.51) KDM4ETSHRCES2CES1L3MBTL1
SCHEMBL9095301 0.79 CES2 (0.57) KDM4ETSHRCES2CES1L3MBTL1
Hydrogen Peroxide SCHEMBL28172477 0.78 ALDH1A1 (0.71) KDM4ETSHRCES2CES1L3MBTL1
SCHEMBL11490166 0.77 TSHR (0.58) KDM4ETSHRCES2CES1TDP1
SCHEMBL6025145 0.77 TSHR (0.58) KDM4ETSHRCES2CES1TDP1

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
CN-110312770-A Adhesive film 日立化成株式会社 2019-10-08 CN disclosed
CN-110312772-A Adhesive film 日立化成株式会社 2019-10-08 CN disclosed