SCHEMBL4137948

SCHEMBL4137948

CCC(CC(C)C)(OC(CC)(CC(C)C)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.36
GRIN2A Q12879 6/20 0.36
GRIN2D O15399 5/20 0.36
GRIN2C Q14957 5/20 0.36
GRIN2B Q13224 4/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNN4 O15554 1/20 0.35
OPRM1 P35372 2/20 0.35
KCNH2 Q12809 2/20 0.35
CACNA1F O60840 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP2B6 P20813 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL27278714 0.83 KCNN4 (0.43) KCNN4MAPK1ALDH1A1CYP2C19TAAR1
SCHEMBL11207278 0.74 MAPK1 (0.48) KCNN4MAPK1ALDH1A1CYP2C19TAAR1
SCHEMBL6685383 0.74 MAPK1 (0.38) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL1538286 0.74 KCNN4 (0.39) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL13166441 0.73 KCNN4 (0.41) GAAKCNN4MAPK1ALDH1A1TAAR1
SCHEMBL24592645 0.71 KCNN4 (0.40) KCNN4MAPK1ALDH1A1CYP2D6TAAR1
SCHEMBL704326 0.71 KCNN4 (0.40) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL873678 0.71 CYP2C19 (0.46) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL11415850 0.71 KCNN4 (0.40) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL5564098 0.71 ALDH1A1 (0.52) SMN1; SMN2KCNN4MAPK1ALDH1A1CYP2C19

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-20090081755-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KG A (DE) 2009-03-26 US disclosed
US-5451346-A Fragrant peracetic acid-containing oxidizing composition INABATA KORYO CO., LTD. (JP) 1995-09-19 US disclosed