SCHEMBL8595604

SCHEMBL8595604

CC(=CC(C)CC(C)C)CO

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KISS1R Q969F8 1/20 0.31

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
SCHEMBL17512186 0.87 TRPA1 (0.36) TRPA1ALDH1A1ALOX15
SCHEMBL17512188 0.87 TRPA1 (0.36) TRPA1ALDH1A1ALOX15
SCHEMBL5909404 0.79
SCHEMBL5909402 0.79
SCHEMBL13455861 0.76 ALDH1A1 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL18649513 0.75 TRPA1 (0.37) TRPA1
SCHEMBL4214137 0.73 TRPA1 (0.39) TRPA1ALDH1A1ALOX15TSHR
SCHEMBL4214133 0.73 TRPA1 (0.39) TRPA1ALDH1A1ALOX15TSHR
SCHEMBL13039741 0.73
SCHEMBL13683357 0.73

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-0814751-A1 COOLANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-01-07 EP disclosed
WO-1996028133-A1 COOLANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-09-19 WO disclosed