SCHEMBL29243148

SCHEMBL29243148

CC(=O)OOC(C)C1CC(C)CCC1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
TRPM8 Q7Z2W7 4/20 0.44
TRPA1 O75762 2/20 0.44
TRPV1 Q8NER1 6/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP19A1 P11511 2/20 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
SCHEMBL18911277 0.80 EPHX1 (0.40) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL9474169 0.78 EPHX1 (0.50) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL9474180 0.77 EPHX1 (0.49) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL30537273 0.76 EPHX1 (0.42) EPHX1TRPM8TRPA1ALDH1A1HPGD
SCHEMBL1897804 0.76 EPHX1 (0.42) EPHX1TRPM8TRPA1ALDH1A1HPGD
SCHEMBL4389938 0.75 TRPM8 (0.52) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL21328419 0.74 EPHX1 (0.40) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL30604482 0.72 TRPM8 (0.62) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL114684 0.72 EPHX1 (0.44) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL23722957 0.71 EPHX1 (0.60) EPHX1TRPM8TRPA1ALDH1A1HPGD

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
CN-116634990-A Compositions comprising one or more (bio) -alkanediols with active ingredients 西姆莱斯股份公司 2023-08-22 CN disclosed