SCHEMBL4411158

SCHEMBL4411158

ClC(Cl)(Cl)C(Cl)(Cl)n1nnc(Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
TRPV1 Q8NER1 5/20 0.41
CNR2 P34972 4/20 0.41
CNR1 P21554 1/20 0.41
MGLL Q99685 5/20 0.38
DAGLA Q9Y4D2 1/20 0.38
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CALM1 P0DP23 1/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TRPA1 O75762 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL4408980 0.80 HDAC6 (0.44) HDAC6TRPV1CNR2CNR1MGLL
SCHEMBL4408988 0.79 TRPV1 (0.46) HDAC6TRPV1CNR2CNR1MGLL
SCHEMBL5603377 0.79 TRPV1 (0.42) HDAC6TRPV1CNR2CNR1MGLL
SCHEMBL2529821 0.76 TRPV1 (0.43) HDAC6TRPV1CNR2CNR1MGLL
SCHEMBL4409244 0.74 HDAC6 (0.47) HDAC6TRPV1CNR2CNR1MGLL
SCHEMBL4405605 0.73 HDAC6 (0.68) HDAC6TRPV1CNR2CNR1MGLL
Propionic Acid SCHEMBL9078600 0.72 CNR2 (0.47) HDAC6TRPV1CNR2CNR1MGLL
SCHEMBL4405947 0.71 RAB9A (0.50) HDAC6RAB9AL3MBTL1ALDH1A1TSHR
SCHEMBL4406015 0.70 CNR2 (0.50) HDAC6TRPV1CNR2CNR1MGLL
SCHEMBL4408018 0.70 TRPV1 (0.46) HDAC6TRPV1CNR2CNR1MGLL

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