SCHEMBL13451689

SCHEMBL13451689

C=C(C)N/C(C)=C/C=C\CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32

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
SCHEMBL23906391 0.80
SCHEMBL14767897 0.75
SCHEMBL14145715 0.75
SCHEMBL23892235 0.73 TRPA1 (0.35) TRPA1
SCHEMBL21207683 0.71 TRPA1 (0.31) TRPA1
SCHEMBL24481381 0.70
SCHEMBL20061654 0.70 TRPA1 (0.32) TRPA1
SCHEMBL18629733 0.69 PTPN1 (0.30)
SCHEMBL15607729 0.69
SCHEMBL7294109 0.69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640380-B1 HISTONE DEACETYLASE INHIBITOR AND PROCESS FOR PRODUCING THE SAME RIKEN (JP) 2010-03-10 EP disclosed