SCHEMBL4414652

SCHEMBL4414652

CC(C)(C)n1nnnc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.50
LMNA P02545 5/20 0.50
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 7/20 0.45
MGLL Q99685 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FAAH O00519 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 4/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4411863 0.83 CNR2 (0.42) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL4408326 0.83 CNR2 (0.42) NPSR1LMNACNR2ALDH1A1MGLL
SCHEMBL9087766 0.81 CNR2 (0.41) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL4397501 0.81 CNR2 (0.41) CNR2ALDH1A1MGLLFAAHMEN1
SCHEMBL4416265 0.80 CNR2 (0.43) LMNACNR2ALDH1A1MGLLFAAH
SCHEMBL4409338 0.77 CNR2 (0.54) LMNACNR2ALDH1A1MGLLFAAH
SCHEMBL4409003 0.77 CNR2 (0.49) LMNACNR2ALDH1A1MGLLFAAH
SCHEMBL31573818 0.74 NPSR1 (0.46) NPSR1LMNAALDH1A1HDAC1HDAC6
SCHEMBL4408226 0.74 CNR2 (0.57) LMNACNR2ALDH1A1MGLLFAAH
SCHEMBL4413673 0.73 CNR2 (0.45) LMNACNR2ALDH1A1MGLLFAAH

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