SCHEMBL9177409

SCHEMBL9177409

CC1CCC(C(C)C)C(c2c(C3CC(C)CCC3C(C)C)c(C3CC(C)CCC3C(C)C)c(C3CC(C)CCC3C(C)C)c(C3CC(C)CCC3C(C)C)c2C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.54
TRPA1 O75762 2/20 0.54
OPRM1 P35372 1/20 0.51
EPHX1 P07099 2/20 0.46
KCNA5 P22460 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TRPV1 Q8NER1 2/20 0.37
LMNA P02545 1/20 0.37
CYP19A1 P11511 2/20 0.37
NFE2L2 Q16236 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
SCHEMBL31577617 0.87 OPRM1 (0.53) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL31546067 0.80 OPRM1 (0.58) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL24513787 0.79 OPRM1 (0.64) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL22430737 0.79 OPRM1 (0.64) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL10594114 0.79 OPRM1 (0.64) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL22430812 0.79 OPRM1 (0.64) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL11729019 0.78 TRPM8 (0.46) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL10700915 0.78 KCNA5 (0.50) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL10715246 0.77 TRPM8 (0.44) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL3639819 0.77 KCNA5 (0.53) TRPM8TRPA1OPRM1KCNA5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407879-B1 Method for mutli-dimensional measurement of magnetic resonance in defined small volume regions of a solid-state sample BRUKER MEDIZINTECH (DE) 1995-07-05 EP disclosed
EP-0407879-A2 Method for mutli-dimensional measurement of magnetic resonance in defined small volume regions of a solid-state sample Bruker Medizintechnik GmbH (DE) 1991-01-16 EP disclosed