SCHEMBL6676508

SCHEMBL6676508

Cc1cc(OC(F)(F)F)ccc1-c1ccccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
GPR3 P46089 3/20 0.43
MAPK8 P45983 2/20 0.43
MAPK10 P53779 1/20 0.43
BCAT2 O15382 1/20 0.41
CHRM5 P08912 1/20 0.40
CHEK1 O14757 1/20 0.40
ESR1 P03372 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PDK2 Q15119 1/20 0.39
SCN5A Q14524 1/20 0.39
RORC P51449 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN9A Q15858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGM2 P21980 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL29618444 0.83 GPR3 (0.47) FFAR4GPR3MAPK8MAPK10PPARG
SCHEMBL965069 0.81 CHEK1 (0.46) FFAR4GPR3MAPK8CHEK1PPARG
Hydrochloric Acid SCHEMBL7999913 0.80 CHEK1 (0.45) FFAR4GPR3MAPK8CHEK1PPARG
SCHEMBL2562027 0.79 BCAT2 (0.59) FFAR4MAPK8MAPK10BCAT2CHEK1
SCHEMBL12569554 0.78 CHEK1 (0.46) FFAR4GPR3MAPK8CHEK1KDM4E
SCHEMBL5498010 0.78 BCAT2 (0.54) BCAT2CHEK1SCN9A
SCHEMBL4517767 0.76 BCAT2 (0.51) FFAR4BCAT2CHRM5CHEK1SCN5A
SCHEMBL19209484 0.76 MCL1 (0.50) FFAR4PPARGPPARAPDK2SCN5A
SCHEMBL7890733 0.75 ESR2 (0.51) MAPK10BCAT2CHEK1ESR1KDM4E
SCHEMBL7033171 0.75 BCAT2 (0.49) BCAT2CHEK1PPARGKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427705-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-06-16 EP disclosed
WO-2003026415-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-04-03 WO disclosed