SCHEMBL3821094

SCHEMBL3821094

CC1(c2cccnc2)OC(OC(=O)O)=CC1=O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 16/20 0.67
HCAR3 P49019 12/20 0.45
CYP1A2 P05177 1/20 0.45
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL11294532 0.85 HCAR2 (0.60) HCAR2HCAR3CYP1A2
SCHEMBL3100973 0.80 HCAR2 (1.00) HCAR2HCAR3CYP1A2
SCHEMBL11301162 0.76 HCAR2 (0.46) HCAR2HCAR3CYP1A2KMT2AHPGD
SCHEMBL3818988 0.74 HCAR2 (0.65) HCAR2HCAR3CYP1A2
SCHEMBL11291822 0.73 HCAR2 (0.56) HCAR2HCAR3CYP1A2MEN1KMT2A
SCHEMBL3823868 0.72 HCAR2 (0.64) HCAR2HCAR3CYP1A2
SCHEMBL3826082 0.71 HCAR2 (0.65) HCAR2HCAR3CYP1A2ALDH1A1
SCHEMBL3823775 0.71 HCAR2 (0.65) HCAR2HCAR3CYP1A2
SCHEMBL3821098 0.70 HCAR2 (0.66) HCAR2HCAR3CYP1A2
SCHEMBL3819466 0.70 HCAR2 (0.66) 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