SCHEMBL16610588

SCHEMBL16610588

C=C(C)C(=O)OCCC(O)Oc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
HSD17B10 Q99714 2/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.38
NR2E1 Q9Y466 2/20 0.38
TSHR P16473 1/20 0.38
PSMB5 P28074 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8068131 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL2033775 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL29791099 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4458912 0.80 TDP1 (0.36) KDM4EALDH1A1TDP1GAAMAPK1
SCHEMBL16610586 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL29791076 0.80 PPARG (0.46) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL13801024 0.80 MTNR1A (0.39) KDM4EALDH1A1HPGDKMT2ACYP2C19
SCHEMBL10605986 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDKMT2ATDP1
Methacrylic Acid SCHEMBL31132450 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL513073 0.79 TDP1 (0.45) ALDH1A1HPGDTDP1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873098-B2 Three-component mixing apparatus and three-component mixing adhesive kit MITSUI CHEMICALS, INC. (JP) 2018-01-23 US disclosed
EP-2857091-B1 THREE-COMPONENT MIXING APPARATUS AND METHOD AND THREE-COMPONENT MIXING ADHESIVE KIT MITSUI CHEMICALS INC (JP) 2017-08-16 EP disclosed
US-20150117140-A1 THREE-COMPONENT MIXING APPARATUS AND THREE-COMPONENT MIXING ADHESIVE KIT MITSUI CHEMICALS, INC. (JP) 2015-04-30 US disclosed
EP-2857091-A1 THREE-COMPONENT MIXING APPARATUS AND THREE-COMPONENT MIXING ADHESIVE KIT Mitsui Chemicals, Inc. (JP) 2015-04-08 EP disclosed