SCHEMBL6899016

SCHEMBL6899016

CC(C)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)cc(C(=O)O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CMA1 P23946 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 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
SCHEMBL8872127 0.89 NOTUM (0.33) NOTUMCMA1
SCHEMBL28629555 0.88 NOTUM (0.30) NOTUM
SCHEMBL9396141 0.83 NOTUM (0.30) NOTUM
SCHEMBL8871917 0.81 NOTUM (0.35) NOTUMCMA1
SCHEMBL1807362 0.79 TDP1 (0.52) NOTUMKDM4EALDH1A1HPGDLMNA
SCHEMBL8871942 0.79 NOTUM (0.36) NOTUMCMA1
SCHEMBL8872129 0.78 NOTUM (0.32) NOTUM
SCHEMBL20356681 0.75 NOTUM (0.36) NOTUMALDH1A1CMA1LMNA
SCHEMBL1807890 0.73 NOTUM (0.30) NOTUM
SCHEMBL9423041 0.72 TDP1 (0.40) NOTUMKDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423005-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP claimed
EP-1423009-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP claimed
WO-2003020033-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-13 WO claimed
WO-2003017766-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-06 WO claimed
EP-1278413-A2 N-ARYL-URACILE-BASED HERBICIDES Bayer CropScience AG (DE) 2003-01-29 EP claimed
WO-2003000058-A1 SELECTIVE HERBICIDES BASED ON PYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-01-03 WO claimed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 WO claimed
EP-1423010-A2 SELECTIVE HERBICIDE COMPRISING A TETRAZOLINONE DERIVATIVE Bayer CropScience AG (DE) 2004-06-02 EP disclosed
WO-2003020035-A2 SELECTIVE HERBICIDE COMPRISING A TETRAZOLINONE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2003-03-13 WO disclosed