SCHEMBL28089554

SCHEMBL28089554

CC(C)COC(C)OC=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.36

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
SCHEMBL1395549 0.84 RELA (0.44) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL4543866 0.81 MEN1 (0.39) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL8093712 0.78 TRPA1 (0.44) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL7770602 0.78 NPC1 (0.45) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL5670358 0.78 NPC1 (0.45) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL29266723 0.77 RELA (0.41) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL3367705 0.77 HTR2A (0.39) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL23134220 0.75 MAOB (0.44) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL419698 0.75 MAOB (0.44) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL8662776 0.74 ALDH1A1 (0.40) CYP3A4CYP2C9MAPK1CYP2C19LMNA

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-102243386-B Liquid crystal display cells, positive radiation line sensitive compositions, interlayer dielectric used for liquid crystal display element and forming method thereof JSR株式会社 2016-08-10 CN disclosed