SCHEMBL11291061

SCHEMBL11291061

CC1CCC(C(C)C)C(CC(=O)C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
TRPM8 Q7Z2W7 4/20 0.47
TRPA1 O75762 2/20 0.47
KCNA5 P22460 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL457824 0.86 EPHX1 (0.51) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951572 0.86 EPHX1 (0.51) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL5165213 0.83 EPHX1 (0.46) EPHX1TRPM8TRPA1KCNA5TRPV1
Acetic Acid SCHEMBL30541669 0.83 EPHX1 (0.49) EPHX1TRPM8TRPA1KCNA5TRPV1
Formaldehyde SCHEMBL31298519 0.83 EPHX1 (0.49) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951688 0.82 EPHX1 (0.51) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL28350744 0.82 EPHX1 (0.51) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL9951381 0.82 EPHX1 (0.51) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL10028627 0.81 EPHX1 (0.59) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL3855216 0.80 EPHX1 (0.50) EPHX1TRPM8TRPA1TRPV1

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-0059441-A1 Bioactive agent on terpene/alpha-cetocarboxylic-acid basis Füssener Textil AG (DE) 1982-09-08 EP claimed