SCHEMBL8896211

SCHEMBL8896211

CC(C)Oc1cc(N2C(=O)C3COCCN3C2C(=O)O)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPOX P50336 11/20 0.49
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMO O15229 1/20 0.33
DHODH Q02127 4/20 0.33
P2RX3 P56373 2/20 0.33

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
SCHEMBL8896385 0.86 PPOX (0.44) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL8896219 0.81 PPOX (0.47) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL8895085 0.73 PPOX (0.54) PPOXP2RX3
SCHEMBL9393549 0.73 PPOX (0.40) PPOXKMODHODHP2RX3
SCHEMBL9393544 0.73 PPOX (0.39) PPOXKMODHODHP2RX3
SCHEMBL8896391 0.72 PPOX (0.42) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10419793 0.69 PPOX (0.54) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10419792 0.69 PPOX (0.54) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL8896678 0.67 PPOX (0.44) PPOX
SCHEMBL10883676 0.66 PPOX (0.56) PPOXMEN1NR1I2KMT2ATDP1

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
US-5643855-A Herbicidal imidazolones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-01 US disclosed
WO-1994014817-A1 HERBICIDAL IMIDAZOLONES AND A PROCESS FOR THEIR MANUFACTURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-07 WO disclosed