SCHEMBL3390913

SCHEMBL3390913

CC1=CC(C)C(C=O)(CCC=CCCC=CC=O)C(C)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
CTNNB1 P35222 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
SCHEMBL6804789 0.75 ALOX15 (0.40) ALOX15CTNNB1
SCHEMBL11060176 0.73 ALOX15 (0.39) ALOX15CTNNB1
SCHEMBL6798320 0.66 ALOX15 (0.39) ALOX15CTNNB1
SCHEMBL3390915 0.64 TRPA1 (0.33)
SCHEMBL3390910 0.64 TRPA1 (0.33)
SCHEMBL6242784 0.62
SCHEMBL1301420 0.57 TRPA1 (0.53)
SCHEMBL1301418 0.57 TRPA1 (0.53)
SCHEMBL8816152 0.54 TRPA1 (0.68) ALOX15
SCHEMBL18941519 0.54 TRPA1 (0.52)

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-1740471-B1 PACKAGE FOR ODORANT COMPOSITIONS UNILEVER PLC (GB) 2010-12-22 EP disclosed