SCHEMBL2499134

SCHEMBL2499134

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
FFAR1 O14842 5/20 0.46
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL2497911 1.00 GAA (0.52) GAAFFAR1TAS1R3TAS1R1POLB
SCHEMBL3655663 0.90 GAA (0.56) GAAFFAR1POLB
SCHEMBL3659654 0.90 GAA (0.56) GAAFFAR1POLB
SCHEMBL8337209 0.90 GAA (0.58) GAAFFAR1POLB
SCHEMBL19003549 0.85 TAS1R3 (0.40) TAS1R3TAS1R1
SCHEMBL2503228 0.85 GAA (0.53) GAAFFAR1TAS1R3TAS1R1POLB
SCHEMBL2497024 0.85 GAA (0.53) GAAFFAR1TAS1R3TAS1R1POLB
SCHEMBL20372911 0.84 TAS1R3 (0.40) TAS1R3TAS1R1
SCHEMBL2501254 0.82 ADRB1 (0.43) GAAFFAR1
SCHEMBL2495292 0.82 ADRB1 (0.43) GAAFFAR1

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