SCHEMBL8764036

SCHEMBL8764036

COc1cccc(C(F)(F)F)c1S(=O)(=O)OCP(C)(=O)OOC(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
NFE2L2 Q16236 2/20 0.32
MAPT P10636 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
ATM Q13315 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
SCHEMBL8764702 0.90 SMN1; SMN2 (0.32) SMN1; SMN2HPGDNFE2L2MAPTAKR1C3
SCHEMBL8729845 0.89 SMN1; SMN2 (0.33) SMN1; SMN2HPGDNFE2L2AKR1C3AKR1C2
SCHEMBL8764675 0.87 CTSS (0.32) SMN1; SMN2HPGDNFE2L2ATM
SCHEMBL8763952 0.87 SMN1; SMN2 (0.31) SMN1; SMN2HPGDNFE2L2
SCHEMBL8763787 0.87 MEN1 (0.30) SMN1; SMN2
SCHEMBL8763768 0.85 KCNK3 (0.31) ATM
SCHEMBL8731887 0.83 NFE2L2 (0.35) SMN1; SMN2HPGDNFE2L2AKR1C3AKR1C2
SCHEMBL8764757 0.82 PTPN5 (0.36) SMN1; SMN2HPGDNFE2L2MAPTATM
SCHEMBL8729954 0.81 CTSS (0.34) SMN1; SMN2HPGDNFE2L2AKR1C3AKR1C2
SCHEMBL8729865 0.81 NFE2L2 (0.34) SMN1; SMN2HPGDNFE2L2AKR1C3AKR1C2

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