SCHEMBL454866

SCHEMBL454866

CC1CCC(C(C)C)C(C(C(=O)O)C(C)O)C1.CNC(=O)C(C)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.37
TRPV1 Q8NER1 6/20 0.36
TRPM8 Q7Z2W7 5/20 0.35
TRPA1 O75762 2/20 0.35

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
SCHEMBL16456973 0.84 EPHX1 (0.49) EPHX1TRPV1TRPM8TRPA1
SCHEMBL112766 0.84 EPHX1 (0.49) EPHX1TRPV1TRPM8TRPA1
Menthol SCHEMBL17609300 0.79 TRPM8 (0.60) EPHX1TRPV1TRPM8TRPA1
SCHEMBL3632496 0.74 EPHX1 (0.50) EPHX1TRPV1TRPM8TRPA1
SCHEMBL21460530 0.72 TRPM8 (0.50) EPHX1TRPV1TRPM8TRPA1
SCHEMBL29261177 0.71 TRPV1 (0.58) EPHX1TRPV1TRPM8
SCHEMBL851820 0.69 EPHX1 (0.51) EPHX1TRPV1TRPM8TRPA1
SCHEMBL15282150 0.68 EPHX1 (0.44) EPHX1TRPV1TRPM8TRPA1
Hydrochloric Acid SCHEMBL11492237 0.68 EPHX1 (0.50) EPHX1TRPV1TRPM8TRPA1
Bicarbonate SCHEMBL1660899 0.68 EPHX1 (0.50) EPHX1TRPV1TRPM8TRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130216648-A1 CHEWING GUM COMPOSITIONS PROVIDING FLAVOR RELEASE PROFILES KRAFT FOODS GLOBAL BRANDS LLC (US) 2013-08-22 US disclosed
EP-2613649-A1 CHEWING GUM COMPOSITIONS PROVIDING FLAVOR RELEASE PROFILES Kraft Foods Global Brands LLC (US) 2013-07-17 EP disclosed
WO-2012034012-A1 CHEWING GUM COMPOSITIONS PROVIDING FLAVOR RELEASE PROFILES KRAFT FOODS GLOBAL BRANDS LLC (US) 2012-03-15 WO disclosed