SCHEMBL7635497

SCHEMBL7635497

CC(C)c1ccc(OOc2ccc(C(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 8/20 0.35
HIF1A Q16665 2/20 0.34
GAA P10253 2/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
ACHE P22303 1/20 0.34
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 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
SCHEMBL9885327 0.86 HDAC4 (0.44) LMNAALDH1A1GAAHDAC4HDAC8
SCHEMBL13395423 0.83 PDE2A (0.45) CYP2D6CYP1A2LMNATRPA1PTGS1
SCHEMBL9862398 0.83 CYP2D6 (0.34) CYP2D6CYP1A2LMNATRPA1PTGS1
SCHEMBL16259633 0.79 MAPK1 (0.40) CYP2D6CYP1A2LMNAALDH1A1HTT
SCHEMBL19651157 0.78 L3MBTL1 (0.35) CYP2D6CYP1A2LMNAALDH1A1HIF1A
SCHEMBL6060663 0.78 INPPL1 (0.42) CYP2D6CYP1A2HIF1AACHEPTGDR2
SCHEMBL27874333 0.78 ALDH1A1 (0.33) CYP2D6CYP1A2LMNAALDH1A1HIF1A
SCHEMBL27351797 0.77 INPPL1 (0.41) CYP2D6CYP1A2ACHEPTGDR2CYP2C9
SCHEMBL22790526 0.75 LMNA (0.54) CYP2D6CYP1A2LMNATRPA1PTGS1
SCHEMBL10267397 0.74 HDAC4 (0.44) LMNAALDH1A1HDAC4HDAC8SMN1; SMN2

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
US-6414091-B2 BLEND OF POLYPHENYLENE ETHER AND POLYSILOXANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-07-02 US disclosed
US-20010014723-A1 Thermoplastic resin, process for producing same and theroplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-16 US disclosed