SCHEMBL8764166

SCHEMBL8764166

CC(C)OOP(=O)(COS(=O)(=O)c1ccccc1Cl)OOC(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.33
F2 P00734 6/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
KCNH2 Q12809 1/20 0.32
NFE2L2 Q16236 1/20 0.32
PRSS2 P07478 2/20 0.31
HTR6 P50406 1/20 0.31
ITGAV P06756 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CTRC Q99895 2/20 0.31
CNR2 P34972 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
SCHEMBL8764065 0.95 HSD11B1 (0.33) HSD11B1F2KCNH2NFE2L2KDM4E
SCHEMBL8764592 0.94
SCHEMBL8762833 0.88 HSD11B1 (0.35) HSD11B1F2NR3C1PGRKCNH2
SCHEMBL8734748 0.86 ALDH1A1 (0.36) HSD11B1F2NR3C1PGRKCNH2
SCHEMBL8762888 0.86 HTT (0.31) HSD11B1F2NR3C1KDM4E
SCHEMBL8764595 0.85 KMT2A (0.32) NR3C1PGR
SCHEMBL8763879 0.84 ALDH1A1 (0.40) KDM4E
SCHEMBL8763909 0.83 HSD11B1 (0.34) HSD11B1F2PGRKCNH2NFE2L2
SCHEMBL8732904 0.83 NFE2L2 (0.33) HSD11B1F2NR3C1PGRKCNH2
SCHEMBL8730136 0.82 PTK2 (0.36) HSD11B1F2NR3C1KCNH2KDM4E

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-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP claimed