SCHEMBL2683646

SCHEMBL2683646

CC(C)CC1CC(O)C(CC(C)C)CC1O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 2/20 0.36
HTR2A P28223 1/20 0.36
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
GBA1 P04062 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
SCHEMBL12166882 0.88 CA1 (0.32) SLC18A2HTR2ATRPA1TRPM8
SCHEMBL2681814 0.88 TRPA1 (0.39) SLC18A2HTR2ATRPA1TRPM8
SCHEMBL2681960 0.81 TRPA1 (0.33) SLC18A2HTR2ATRPA1TRPM8
SCHEMBL12166748 0.81 TRPA1 (0.52) SLC18A2HTR2ATRPA1TRPM8
SCHEMBL14984117 0.79 TRPA1 (0.45) TRPA1TRPM8
SCHEMBL12166623 0.79 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL12166646 0.78 TRPA1 (0.30) TRPA1TRPM8
SCHEMBL19324526 0.77 TRPA1 (0.36) TRPA1TRPM8
SCHEMBL9815679 0.76
SCHEMBL12166643 0.76 INPP5A (0.32)

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
US-20120110900-A1 Liquid fuel composition and method for enhancing combustion efficiency of a liquid fuel TSAI KAI-SHON (TW) 2012-05-10 US claimed
US-20120110900-A1 Liquid fuel composition and method for enhancing combustion efficiency of a liquid fuel TSAI KAI-SHON (TW) 2012-05-10 US disclosed