SCHEMBL8744778

SCHEMBL8744778

CCC(C)C(C)(NC(=O)Cc1c(C)cc(C)cc1C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR1 Q92633 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HPGD P15428 1/20 0.32
PSMB5 P28074 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL6990974 0.92 TAS1R3 (0.43) TAS1R3TAS1R1HTTALDH1A1LMNA
SCHEMBL6992821 0.90 TAS1R3 (0.45) TAS1R3TAS1R1LMNAL3MBTL1SMN1; SMN2
SCHEMBL8862522 0.84 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1SMN1; SMN2LPAR1
SCHEMBL13527323 0.82 TAS1R3 (0.35) TAS1R3TAS1R1HTTLMNAL3MBTL1
SCHEMBL6997712 0.82 LPAR1 (0.40) TAS1R3TAS1R1HTTALDH1A1LMNA
SCHEMBL6994975 0.80 LMNA (0.36) TAS1R3TAS1R1LMNAL3MBTL1SMN1; SMN2
SCHEMBL8874342 0.78 HPGD (0.38) HTTLMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL8556633 0.77 TAS1R3 (0.47) TAS1R3TAS1R1HTTALDH1A1LMNA
SCHEMBL6998326 0.77 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL8558779 0.77 TAS1R3 (0.47) TAS1R3TAS1R1HTTALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed