SCHEMBL6049155

SCHEMBL6049155

CC(C)=CC(C)CC1CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.42
GABRR2 P28476 1/20 0.42
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 4/20 0.33
CA12 O43570 4/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
FFAR4 Q5NUL3 6/20 0.32
GAA P10253 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
SCHEMBL2554745 0.77 GABRR1 (0.52) GABRR1GABRR2CA1CA2CA9
SCHEMBL115743 0.69 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL29132884 0.69 GABRR1 (0.52) GABRR1GABRR2CA1CA2CA9
SCHEMBL21570125 0.69 GABRR1 (0.52) GABRR1GABRR2CA1CA2CA9
SCHEMBL21570217 0.69 GABRR1 (0.52) GABRR1GABRR2CA1CA2CA9
SCHEMBL21570218 0.69 GABRR1 (0.52) GABRR1GABRR2CA1CA2CA9
SCHEMBL13323586 0.68 GABRR1 (0.47) GABRR1GABRR2FFAR4
SCHEMBL13323636 0.68 GABRR1 (0.47) GABRR1GABRR2FFAR4
SCHEMBL27699098 0.67 GABRR1 (0.45) GABRR1GABRR2CA1CA2CA9
SCHEMBL20640443 0.67 SMN1; SMN2 (0.47) GABRR1GABRR2

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-1642886-A2 Saturated and unsaturated N-Alkamides exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-04-05 EP disclosed