SCHEMBL31365545

SCHEMBL31365545

CC(CCCI)CC(C)CC(C)CC(C)CC(C)CC(C)CCCC(OCc1ccccc1)OC(CCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCCI)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
RCE1 Q9Y256 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
MEN1 O00255 1/20 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

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
SCHEMBL31365542 0.90 HTT (0.33) HTTRCE1KMT2AMAPTNPC1
SCHEMBL31365644 0.89 HTT (0.34) HTTRCE1KMT2AMAPT
SCHEMBL31365624 0.88 HTT (0.33) HTTRCE1KMT2AMAPTNPC1
SCHEMBL31365660 0.88 HTT (0.33) HTTRCE1KMT2AMAPTTSHR
SCHEMBL31365655 0.88 HTT (0.33) HTTRCE1KMT2AMAPTNPC1
SCHEMBL31365474 0.88 HTT (0.33) HTTRCE1KMT2AMAPTNPC1
SCHEMBL31259341 0.85 CSNK1E (0.42) ALDH1A1
SCHEMBL31259239 0.84 HTT (0.34) HTTRCE1KMT2AMAPTNPC1
SCHEMBL31259257 0.84 HTT (0.40) HTTRCE1KMT2AMAPTNPC1
SCHEMBL31259264 0.81 HTT (0.37) HTTRCE1KMT2AMAPTTSHR

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-119059889-A Haloalkylalkoxymethyl ether compound, process for producing 4,6,8,10,16-pentamethylbehene therefrom, and process for producing synthetic intermediate thereof 信越化学工业株式会社 2024-12-03 CN disclosed