SCHEMBL16456973

SCHEMBL16456973

CC1CCC(C(C)C)[C@H](C(C(=O)O)C(C)O)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
TRPM8 Q7Z2W7 5/20 0.47
TRPA1 O75762 2/20 0.47
KCNA5 P22460 1/20 0.38
TRPV1 Q8NER1 4/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL112766 1.00 EPHX1 (0.49) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL3632496 0.88 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL454866 0.84 EPHX1 (0.37) EPHX1TRPM8TRPA1TRPV1
SCHEMBL851820 0.82 EPHX1 (0.51) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL15282150 0.81 EPHX1 (0.44) EPHX1TRPM8TRPA1TRPV1
Hydrochloric Acid SCHEMBL11492237 0.81 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1
Bicarbonate SCHEMBL1660899 0.81 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951257 0.80 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL1030886 0.80 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL3274993 0.80 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1

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
EP-2423291-B1 PROCESS FOR PRODUCING 1-MENTHYL (3R)-3-HYDROXYBUTANOATE AND COMPOSITION CONTAINING SAME FOR STIMULATING SENSE TAKASAGO PERFUMERY CO LTD (JP) 2014-01-01 EP disclosed