SCHEMBL8729950

SCHEMBL8729950

CCOP(=O)(COS(=O)(=O)c1ccccc1C(F)(F)F)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 2/20 0.34
SLC22A12 Q96S37 4/20 0.33
F2 P00734 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
MMP7 P09237 1/20 0.32

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
SCHEMBL8732823 0.92 MEN1 (0.38) MEN1KMT2AHSD11B1SLC22A12F2
SCHEMBL8732679 0.91 ALDH1A1 (0.33) ALDH1A1TSHRKDM4ELMNAGAA
SCHEMBL8734727 0.90 MEN1 (0.39) MEN1KMT2AHSD11B1SLC22A12F2
SCHEMBL8729958 0.88 MEN1 (0.36) MEN1KMT2AHSD11B1SLC22A12F2
SCHEMBL8735596 0.84 MEN1 (0.37) MEN1KMT2AHSD11B1SLC22A12F2
SCHEMBL8730058 0.83 TSHR (0.31) ALDH1A1TSHR
SCHEMBL8734726 0.83 NPSR1 (0.30) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL8730154 0.83 EPHX2 (0.31) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL8732856 0.83 LMNA (0.30) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL8732229 0.83 MEN1 (0.38) MEN1KMT2AHSD11B1SLC22A12F2

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