SCHEMBL7167386

SCHEMBL7167386

CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
EPHX1 P07099 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
SCHEMBL1660655 1.00 TRPA1 (0.32) TRPA1TRPM8EPHX1
SCHEMBL1870837 0.78 TRPA1 (0.34) TRPA1TRPM8
SCHEMBL14515122 0.78 TRPA1 (0.34) TRPA1TRPM8
SCHEMBL719228 0.78 TRPA1 (0.30) TRPA1TRPM8
SCHEMBL24200482 0.77
SCHEMBL17244697 0.77 TRPA1 (0.33) TRPA1TRPM8
Ethane SCHEMBL3445506 0.77 TRPA1 (0.33) TRPA1TRPM8
SCHEMBL12671701 0.77 TRPA1 (0.33) TRPA1TRPM8
Ethane SCHEMBL17237502 0.77 TRPA1 (0.33) TRPA1TRPM8
Methane SCHEMBL3445491 0.77 TRPA1 (0.33) TRPA1TRPM8

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-6566545-B2 Alkali metal or intramolecular salt of menthyl 3-aminopropyl acid phosphate, and preparation from phosphoryl chloride, menthol and 3-amino-1-propanol; decomposed in body to form menthol and mono(3-aminopropyl) phosphate PACIFIC CORPORATION (KR) 2003-05-20 US disclosed