SCHEMBL11028787

SCHEMBL11028787

CC(C)Oc1cc(O)c(OC(C)C)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
HTT P42858 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
STK17B O94768 1/20 0.36
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CSNK2A1 P68400 2/20 0.35
ACHE P22303 1/20 0.35
RORC P51449 1/20 0.35
LTB4R Q15722 1/20 0.35
TLR8 Q9NR97 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL6381614 0.82 KCNK3 (0.43) IRAK4PDE4APDE4BPDE4CPDE4D
SCHEMBL7726674 0.79 MAOB (0.59) IRAK4HTTALOX15PDE4APDE4B
SCHEMBL19433124 0.79 CA12 (0.47) ALOX15ALOX12CSNK2A1RORC
SCHEMBL9647072 0.77 PARP10 (0.50) IRAK4PDE4APDE4BPDE4CPDE4D
SCHEMBL12697239 0.77 IDO1 (0.51) IDO1TDO2ALOX15ALOX12ALDH1A1
SCHEMBL28146640 0.77 TRPA1 (0.48) IRAK4IDO1TDO2ALOX15ALOX12
SCHEMBL4962026 0.77 ALDH1A1 (0.48) IRAK4PARP10ALDH1A1RORC
SCHEMBL13963701 0.77 PDE10A (0.48) IRAK4HTTALOX15ALOX12STK17B
Ethane SCHEMBL27558946 0.76 HTR2A (0.40)
SCHEMBL2975257 0.75 TSHR (0.47) IRAK4ALOX15ALOX12ALDH1A1CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065720-B1 PROCESS FOR PREPARING HYDROXYPHENYL AMINE DERIVATIVES CASSELLA Aktiengesellschaft (DE) 1985-01-09 EP disclosed
EP-0065720-A1 Process for preparing hydroxyphenyl amine derivatives CASSELLA Aktiengesellschaft (DE) 1982-12-01 EP disclosed