SCHEMBL8895085

SCHEMBL8895085

CCOC(=O)C1N(c2cc(OC(C)C)c(Cl)cc2F)C(=O)C2CCCCN21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPOX P50336 11/20 0.54
MAPT P10636 1/20 0.37
ADRA1A P35348 2/20 0.37
TSHR P16473 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX3 P56373 1/20 0.36
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8896586 0.85 PPOX (0.49) PPOXTSHRKDM4EALDH1A1
SCHEMBL8897929 0.81 TSHR (0.44) PPOXMAPTTSHRKDM4EALDH1A1
SCHEMBL8896385 0.77 PPOX (0.44) PPOXP2RX3
SCHEMBL8896211 0.73 PPOX (0.49) PPOXP2RX3
SCHEMBL8896678 0.73 PPOX (0.44) PPOX
SCHEMBL10939313 0.72 PPOX (0.54) PPOX
SCHEMBL10940940 0.72 PPOX (0.44) PPOXMAPTTSHRKDM4EALDH1A1
SCHEMBL10620814 0.70 PPOX (0.75) PPOXTSHRKDM4EALDH1A1
SCHEMBL10419792 0.69 PPOX (0.54) PPOXMAPTTSHRKDM4EALDH1A1
SCHEMBL10419793 0.69 PPOX (0.54) PPOXMAPTTSHRKDM4EALDH1A1

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