SCHEMBL8099688

SCHEMBL8099688

CCOP(=O)(OCC)C(Cl)(Cl)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DGAT1 O75907 1/20 0.35
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
PPARD Q03181 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 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
SCHEMBL11431291 0.86 DGAT1 (0.33) DGAT1
SCHEMBL11430898 0.82 DGAT1 (0.37) DGAT1
SCHEMBL18956879 0.81 TP53 (0.38) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL1240221 0.81 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL11442582 0.78 CYP3A4 (0.32) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL11435665 0.78 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL7473418 0.78 DGAT1 (0.35) TP53TDP1DGAT1TSHRPPARD
SCHEMBL10840001 0.76 GAA (0.39) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL9323049 0.76 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL11430886 0.76 TP53 (0.41) CYP3A4CYP2C9CYP2C19TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US disclosed
US-6057352-A CONTROLLING PLANT DISEASES CAUSED BY FUNGAL PLANT PATHOGENS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP disclosed
EP-0825988-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP disclosed
US-5686461-A INHIBITION OF NMDA INDUCED CONVULSIONS GLAXO WELLCOME S.P.A. (IT) 1997-11-11 US disclosed
WO-1996036616-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed