SCHEMBL31366921

SCHEMBL31366921

COC(C)CCCC(=O)OCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
DGKA P23743 1/20 0.40
MGLL Q99685 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 4/20 0.32
MAPK1 P28482 1/20 0.31
DNM1 Q05193 1/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TLR2 O60603 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL8765571 0.83 DGKA (0.41) DGKAMAPTDNM1
SCHEMBL8765063 0.83 DGKA (0.41) DGKAMAPTDNM1
SCHEMBL28606802 0.81 EPHX2 (0.47) EPHX2DGKAMGLLMEN1KMT2A
SCHEMBL28377219 0.81 EPHX2 (0.47) EPHX2DGKAMGLLMEN1KMT2A
SCHEMBL29359233 0.79 EPHX2 (0.49) EPHX2DGKAMGLLMEN1KMT2A
SCHEMBL6417620 0.79 DGKA (0.54) EPHX2DGKAMGLLMEN1KMT2A
SCHEMBL2845276 0.79 MEN1 (0.50) EPHX2DGKAMGLLMEN1KMT2A
SCHEMBL2922616 0.79 DGKA (0.54) EPHX2DGKAMGLLMEN1KMT2A
SCHEMBL11579370 0.79 DGKA (0.54) EPHX2DGKAMGLLMEN1KMT2A
SCHEMBL207583 0.79 DGKA (0.54) EPHX2DGKAMGLLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119421934-A Inorganic microparticle dispersion 住友化学株式会社 2025-02-11 CN disclosed