SCHEMBL31259239

SCHEMBL31259239

CC(Cl)CC(C)CCCC(OCc1ccccc1)OC(CCCC(C)CC(C)Cl)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
RCE1 Q9Y256 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PSMB5 P28074 1/20 0.31
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
TRPA1 O75762 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
SCHEMBL31365474 0.97 HTT (0.33) HTTRCE1KMT2AMAPTMEN1
SCHEMBL31365467 0.88 HTT (0.37) HTTRCE1KMT2AMAPTMEN1
SCHEMBL31365660 0.86 HTT (0.33) HTTRCE1KMT2AMAPTMEN1
SCHEMBL31259257 0.86 HTT (0.40) HTTRCE1KMT2AMAPTMEN1
SCHEMBL31365644 0.84 HTT (0.34) HTTRCE1KMT2AMAPT
SCHEMBL31365545 0.84 HTT (0.34) HTTRCE1KMT2AMAPTMEN1
SCHEMBL31365624 0.83 HTT (0.33) HTTRCE1KMT2AMAPTMEN1
SCHEMBL31365542 0.83 HTT (0.33) HTTRCE1KMT2AMAPTMEN1
SCHEMBL31259341 0.83 CSNK1E (0.42)
SCHEMBL31365655 0.83 HTT (0.33) HTTRCE1KMT2AMAPTMEN1

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-119059888-A Haloalkyl oxymethyl ether compounds, process for preparing 13, 15-dimethylheptadecane therefrom and process for preparing synthetic intermediates thereof 信越化学工业株式会社 2024-12-03 CN disclosed