SCHEMBL3826082

SCHEMBL3826082

CC1(c2cccs2)OC(OC(=O)O)=CC1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 16/20 0.65
HCAR3 P49019 11/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3111220 0.79 HCAR2 (1.00) HCAR2HCAR3CYP1A2
SCHEMBL11294532 0.79 HCAR2 (0.60) HCAR2HCAR3CYP1A2
SCHEMBL3820468 0.78 HCAR2 (0.65) HCAR2HCAR3CYP1A2
SCHEMBL3823505 0.77 HCAR2 (0.66) HCAR2HCAR3CYP1A2
SCHEMBL3819252 0.77 HCAR2 (0.66) HCAR2HCAR3CYP1A2
SCHEMBL3819503 0.77 HCAR2 (0.66) HCAR2HCAR3CYP1A2
SCHEMBL3818988 0.76 HCAR2 (0.65) HCAR2HCAR3CYP1A2
SCHEMBL3105879 0.76 HCAR2 (0.73) HCAR2HCAR3CYP1A2
SCHEMBL3823868 0.74 HCAR2 (0.64) HCAR2HCAR3CYP1A2
SCHEMBL3823775 0.73 HCAR2 (0.65) HCAR2HCAR3CYP1A2

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-1701947-B1 4-OXO-4,5-DIHYDRO-FURAN-2-CARBOXYLIC AND ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARM INC (US) 2009-08-26 EP claimed