SCHEMBL4409244

SCHEMBL4409244

Cln1nnc(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
CNR2 P34972 4/20 0.46
TRPV1 Q8NER1 4/20 0.46
CNR1 P21554 1/20 0.46
MGLL Q99685 4/20 0.42
DAGLA Q9Y4D2 1/20 0.42
CALM1 P0DP23 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
SLC9A1 P19634 1/20 0.37
GRM2 Q14416 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL4405605 0.79 HDAC6 (0.68) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL4404479 0.77 TRPV1 (0.46) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL4408018 0.77 TRPV1 (0.46) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL4406015 0.77 CNR2 (0.50) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL4409289 0.76 HPGD (0.55) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL28186377 0.74 CNR2 (0.59) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL4404110 0.74 TRPV1 (0.59) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL4411158 0.74 HDAC6 (0.42) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL23033606 0.73 TRPV1 (0.47) HDAC6CNR2TRPV1CNR1MGLL
SCHEMBL4408047 0.73 TRPV1 (0.54) HDAC6CNR2TRPV1CNR1MGLL

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