SCHEMBL6068355

SCHEMBL6068355

C=CC(=O)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.61
RXRA P19793 2/20 0.59
NR1I2 O75469 1/20 0.52
NR4A2 P43354 1/20 0.52
PDE4D Q08499 1/20 0.52
HMGCR P04035 2/20 0.50
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
GRM2 Q14416 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL1744135 0.87 PRKAA2 (0.67) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL6337258 0.85 RXRA (0.71) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL13861857 0.85 PRKAA2 (0.65) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL6068352 0.84 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL29275349 0.83 RXRA (0.56) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL29275375 0.82 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL18791302 0.82 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL356302 0.82 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL18696397 0.81 RXRA (0.65) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL526170 0.81 PRKAA2 (0.62) PRKAA2RXRANR1I2NR4A2PDE4D

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-7064209-B2 Process for producing optically active oxoheptenoic acid ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-20 US disclosed