SCHEMBL13010397

SCHEMBL13010397

C[C@@H]1CC[C@@H]2CCC[C@H](O)[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CTDSP1 Q9GZU7 2/20 0.31
KDM4E B2RXH2 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL20729974 0.89 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL8672462 0.89 TRPA1 (0.46) TRPA1TRPM8CA1CA2CA4
SCHEMBL13969647 0.81 TRPA1 (0.41) TRPA1TRPM8CA1CA2CA4
SCHEMBL14510458 0.78 CA1 (0.41) TRPA1TRPM8CA1CA2CA4
SCHEMBL8010099 0.77 CA1 (0.33) CA1CA2CA4
SCHEMBL9441878 0.77 CA1 (0.33) TRPA1TRPM8CA1CA2CA4
SCHEMBL23093900 0.76
SCHEMBL14867222 0.75 TRPA1 (0.46) TRPA1TRPM8CA1CA2CA4
SCHEMBL10410690 0.74 TRPA1 (0.50) TRPA1TRPM8CA1CA2CA4
SCHEMBL15355816 0.73 CA1 (0.41) CA1CA2CA4CTDSP1KDM4E

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-2261197-A1 NOVEL MK8383 ANALOGUE AND DISEASE CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL PURPOSES Meiji Seika Kaisha, Ltd. (JP) 2010-12-15 EP disclosed