SCHEMBL16610586

SCHEMBL16610586

C=C(C)C(=O)OC(O)CCOc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
HTR1B P28222 8/20 0.46
TDP1 Q9NUW8 1/20 0.46
MCL1 Q07820 1/20 0.46
HTR1D P28221 1/20 0.45
KMT2A Q03164 2/20 0.45
NR2E1 Q9Y466 2/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL29791099 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHTR1BTDP1
SCHEMBL2033775 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHTR1BTDP1
SCHEMBL27230002 0.80 ALDH1A1 (0.40) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL16610588 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1MCL1
SCHEMBL4202070 0.80 CYP1A2 (0.49) KDM4EALDH1A1HPGDHTR1BTDP1
SCHEMBL10605986 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDHTR1BTDP1
SCHEMBL27836088 0.79 PPARD (0.46) TSHR
SCHEMBL513072 0.79 MTNR1A (0.45) HPGDTDP1
SCHEMBL1415829 0.78 ABCB1 (0.48) KDM4EALDH1A1
SCHEMBL1803976 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDHTR1BTDP1

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