SCHEMBL8428375

SCHEMBL8428375

C/C(=C\O)C1CCC(C)CC1O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL8428377 1.00 TRPA1 (0.42) TRPA1TRPM8CA1CA2CA4
SCHEMBL19576454 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL7738653 0.77 TRPA1 (0.48) TRPA1TRPM8CA1CA2CA4
SCHEMBL2480313 0.76 TRPA1 (0.37) TRPA1TRPM8CA1CA2CA4
SCHEMBL2480310 0.76 TRPA1 (0.37) TRPA1TRPM8CA1CA2CA4
Formic Acid SCHEMBL6859158 0.75 TRPA1 (0.44) TRPA1TRPM8
Isopulegol SCHEMBL8815146 0.73 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL20681722 0.73 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL12044788 0.73 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL20903638 0.73 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4

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
US-5892133-A CONTAINING A 3-SUBSTITUTED P-MENTHANE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-04-06 US disclosed