SCHEMBL4405441

SCHEMBL4405441

CC(C)n1nnnc1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 4/20 0.46
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.46
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
DAGLA Q9Y4D2 2/20 0.42
TRPV1 Q8NER1 2/20 0.41
MCOLN2 Q8IZK6 1/20 0.40
MAPT P10636 1/20 0.38

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
Benzene SCHEMBL27634286 0.78 ALDH1A1 (0.47) CNR2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4409159 0.77 CNR2 (0.83) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL4409003 0.77 CNR2 (0.49) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL6357919 0.74 MGLL (0.46) CNR2ALDH1A1MGLLFAAHDAGLA
SCHEMBL15038853 0.74 MGLL (0.48) CNR2ALDH1A1MGLLFAAHCYP3A4
SCHEMBL4408226 0.74 CNR2 (0.57) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL4407850 0.73 CNR2 (0.45) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL1067246 0.73 ALDH1A1 (0.46) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL4413673 0.73 CNR2 (0.45) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL4407041 0.73 ALDH1A1 (0.46) CNR2ALDH1A1MGLLFAAHMEN1

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed