SCHEMBL8048865

SCHEMBL8048865

N#CC(C(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8953567 0.81 GSK3B (0.51) GSK3BKDM4EALDH1A1
SCHEMBL14364710 0.80 GSK3B (0.47) GSK3B
SCHEMBL8048258 0.76
SCHEMBL8031405 0.76 NR1I2 (0.33)
SCHEMBL8043259 0.75
SCHEMBL9237726 0.71 ALDH1A1 (0.48) ALDH1A1
SCHEMBL1224446 0.70 MGLL (0.41) GSK3BKDM4EALDH1A1
SCHEMBL8608561 0.69 TAS1R3 (0.39) KDM4EALDH1A1
SCHEMBL8608718 0.69 SMN1; SMN2 (0.39)
SCHEMBL9119216 0.69 PRKCI (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US claimed
US-6140528-A ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES RHONE-POULENC AGRICULTURE LTD (GB) 2000-10-31 US disclosed
US-6013805-A USED AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 2000-01-11 US disclosed
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US disclosed