SCHEMBL4405445

SCHEMBL4405445

CCCCCc1nnn(CC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
GPR84 Q9NQS5 1/20 0.34
LTA4H P09960 1/20 0.33
RECQL P46063 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
SCHEMBL4405385 0.98 TRPV1 (0.46) TRPV1CNR1CNR2GPR84LTA4H
SCHEMBL4403741 0.95 TRPV1 (0.48) TRPV1CNR1CNR2RECQL
SCHEMBL4412221 0.87 TRPV1 (0.50) TRPV1CNR1CNR2RECQL
SCHEMBL4411011 0.82 GPR84 (0.38) GPR84
SCHEMBL4408985 0.80 GPR84 (0.37) GPR84
SCHEMBL4411053 0.80 KMT2A (0.46) GPR84RECQL
SCHEMBL4405663 0.80 KMT2A (0.40)
SCHEMBL4403847 0.80 TRPV1 (0.40) TRPV1
SCHEMBL20711268 0.80 TRPV1 (0.50) TRPV1CNR1CNR2
SCHEMBL4409005 0.80 TRPV1 (0.53) TRPV1CNR1CNR2RECQL

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