SCHEMBL8734726

SCHEMBL8734726

CCOP(=O)(COS(=O)(=O)c1c(C)cccc1C(F)(F)F)OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8409435 0.92 MEN1 (0.32) NPSR1LMNAHTT
SCHEMBL8732667 0.91 KDM4E (0.33) NPSR1KDM4EALDH1A1LMNAGAA
SCHEMBL8730154 0.89 EPHX2 (0.31) NPSR1KDM4EALDH1A1LMNAGAA
SCHEMBL8732856 0.89 LMNA (0.30) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL8411217 0.89 MEN1 (0.30) NPSR1LMNAHTT
SCHEMBL8732747 0.87 NFE2L2 (0.33) LMNA
SCHEMBL8732851 0.87 KCNK3 (0.39) KDM4E
SCHEMBL8734729 0.86
SCHEMBL8735718 0.85
SCHEMBL8730162 0.85 CTSS (0.32) NPSR1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed