SCHEMBL11269067

SCHEMBL11269067

Cc1ccccc1CC(CC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
TAAR1 Q96RJ0 4/20 0.42
AOC3 Q16853 2/20 0.39
RIPK1 Q13546 1/20 0.38
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL6547026 0.85 SLC6A2 (0.49) TRPA1SLC6A2SLC6A4TAAR1AOC3
SCHEMBL3674520 0.80 TRPA1 (0.59) TRPA1SLC6A3KCNH2TAAR1AOC3
SCHEMBL3009091 0.80 SLC6A2 (0.40) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL3020929 0.79 SLC6A2 (0.40) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL3015701 0.77 CYP19A1 (0.45) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL6285816 0.75 TRPA1 (0.58) TRPA1CYP2D6TAAR1AOC3RIPK1
SCHEMBL8263713 0.75 HTR2A (0.53) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL14526719 0.75 HTR2A (0.53) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL9857086 0.75 HTR2A (0.53) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL6546634 0.74 RIPK1 (0.48) TRPA1SLC6A2SLC6A4TAAR1AOC3

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
US-4329529-A Traction fluids for traction drive transmissions NIPPON OIL CO., LTD. (JP) 1982-05-11 US disclosed