SCHEMBL1897804

SCHEMBL1897804

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
TRPM8 Q7Z2W7 4/20 0.40
TRPA1 O75762 2/20 0.40
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
CYP19A1 P11511 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL30537273 1.00 EPHX1 (0.42) EPHX1TRPM8TRPA1LMNAMAPT
SCHEMBL21328419 0.83 EPHX1 (0.40) EPHX1TRPM8TRPA1LMNAMAPT
SCHEMBL1030881 0.79 EPHX1 (0.44) EPHX1TRPM8TRPA1LMNAMAPT
SCHEMBL28738013 0.79 TRPM8 (0.47) EPHX1TRPM8TRPA1LMNAMAPT
SCHEMBL114684 0.77 EPHX1 (0.44) EPHX1TRPM8TRPA1CYP19A1ALDH1A1
SCHEMBL29243148 0.76 EPHX1 (0.46) EPHX1TRPM8TRPA1CYP19A1ALDH1A1
SCHEMBL18911277 0.75 EPHX1 (0.40) EPHX1TRPM8TRPA1LMNAMAPT
Bicarbonate SCHEMBL1660906 0.74 EPHX1 (0.47) EPHX1TRPM8TRPA1LMNACYP19A1
SCHEMBL31148535 0.73 TRPM8 (0.52) EPHX1TRPM8TRPA1LMNACYP19A1
SCHEMBL21380224 0.71 TRPM8 (0.45) EPHX1TRPM8TRPA1LMNAMAPT

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
WO-2011056759-A2 ORAL COMPOSITIONS FOR TREATMENT OF DRY MOUTH THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed