SCHEMBL18833331

SCHEMBL18833331

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
TRPM8 Q7Z2W7 2/20 0.45
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
GBA1 P04062 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
SCHEMBL3418318 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL3293913 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL20903636 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL80732 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL12521907 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL12449334 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL13559128 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL18271744 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL80731 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL14130644 0.84 TRPA1 (0.43) 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
EP-2139835-B1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2017-05-10 EP disclosed