SCHEMBL11247273

SCHEMBL11247273

CC1CC(C)C(C(CO)C(=O)O)C(C)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
CPA1 P15085 1/20 0.32
OR51E2 Q9H255 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
SCHEMBL10603337 0.73
SCHEMBL11250069 0.72 EPHX1 (0.33) GRM2GRM3
SCHEMBL11240139 0.68 SLC22A6 (0.36)
SCHEMBL11242434 0.67 ALDH1A1 (0.42)
SCHEMBL1858185 0.67 CYP2C9 (0.33) CPA1
SCHEMBL19209892 0.66 EPHX1 (0.47)
SCHEMBL3179113 0.64
SCHEMBL19809897 0.64 EPHX1 (0.38) GRM2GRM3
SCHEMBL19865079 0.64 EPHX1 (0.38) GRM2GRM3
Acetic Acid SCHEMBL11259102 0.64 EPHX2 (0.34)

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-4311602-A Use of 2,4,6-trimethylcyclohexanemethanol derivatives in augmenting or enhancing the aroma of dryer-added fabric softener articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-01-19 US disclosed