SCHEMBL6569068

SCHEMBL6569068

OC1(CCl)COc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
THPO P40225 1/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL25463696 0.85 ALOX15 (0.39) ALOX15ABCG2ITGB2ICAM1ITGAL
SCHEMBL6570547 0.78 KDM4E (0.40) SMN1; SMN2HTT
SCHEMBL6567367 0.78 KDM4E (0.40) SMN1; SMN2HTT
SCHEMBL6569114 0.78 MAP3K14 (0.34)
SCHEMBL6567593 0.77 PARP1 (0.39) CYP1A2CYP2D6MAPT
SCHEMBL6567597 0.77 MAP3K14 (0.33)
SCHEMBL6568369 0.75 MEN1 (0.38) SMN1; SMN2CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL6569246 0.75 ALDH1A1 (0.37) ALOX15LMNASMN1; SMN2MAPTHTT
SCHEMBL6569099 0.75 TAAR1 (0.36) LMNA
SCHEMBL6569100 0.75 MEN1 (0.38) SMN1; SMN2CYP1A2CYP2D6MAPTCYP2C9

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
EP-1405851-A1 Method for producing seven-membered diether compounds and intermediates thereof Takasago International Corporation (JP) 2004-04-07 EP disclosed