SCHEMBL4404533

SCHEMBL4404533

CCCCc1nnnn1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.32
TLR7 Q9NYK1 3/20 0.32
GRM2 Q14416 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
IDE P14735 1/20 0.30

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
SCHEMBL4408212 0.95 CNR2 (0.46) CNR2TRPV1ALDH1A1MAPTCYP1A2
SCHEMBL4409002 0.93 CNR2 (0.44) CNR2TRPV1ALDH1A1MAPT
SCHEMBL4409119 0.89 CNR2 (0.49) CNR2TRPV1ALDH1A1MAPTCYP1A2
SCHEMBL20711367 0.81 CNR2 (0.49) CNR2TRPV1ALDH1A1MAPTGRM2
SCHEMBL4409185 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL4407849 0.81 CNR2 (0.51) CNR2TRPV1ALDH1A1MAPTCYP1A2
SCHEMBL4406557 0.79 KMT2A (0.42) ALDH1A1MAPTGRM2MEN1KMT2A
SCHEMBL4407174 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL4403827 0.78 SLC9A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4406055 0.77 CNR2 (0.51) CNR2TRPV1ALDH1A1MAPTCYP1A2

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