SCHEMBL2497024

SCHEMBL2497024

CCC[C@H](CC(=O)O)c1ccc(C)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
FFAR1 O14842 5/20 0.43
POLB P06746 3/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TNF P01375 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2503228 1.00 GAA (0.53) GAAFFAR1POLBTAS1R3TAS1R1
SCHEMBL3658199 0.90 GAA (0.57) GAAFFAR1POLBTAS1R3TAS1R1
SCHEMBL3657093 0.90 GAA (0.57) GAAFFAR1POLBTAS1R3TAS1R1
SCHEMBL2497911 0.85 GAA (0.52) GAAFFAR1POLBTAS1R3TAS1R1
SCHEMBL2499134 0.85 GAA (0.52) GAAFFAR1POLBTAS1R3TAS1R1
SCHEMBL2498025 0.81 TRPA1 (0.46) GAAFFAR1ALDH1A1
SCHEMBL2502889 0.81 TRPA1 (0.46) GAAFFAR1ALDH1A1
SCHEMBL3873634 0.78 GAA (0.47) GAAFFAR1ALDH1A1SMN1; SMN2
SCHEMBL11225638 0.78 FFAR1 (0.56) GAAFFAR1POLBTAS1R3TAS1R1
SCHEMBL2503226 0.77 TNF (0.44) GAAFFAR1TAS1R3TAS1R1TNF

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-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed