SCHEMBL8764702

SCHEMBL8764702

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 1/20 0.32
NFE2L2 Q16236 2/20 0.32
MAPT P10636 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ATM Q13315 1/20 0.31
MAOB P27338 1/20 0.30
FDFT1 P37268 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL8763952 0.97 SMN1; SMN2 (0.31) SMN1; SMN2HPGDNFE2L2FDFT1
SCHEMBL8763768 0.94 KCNK3 (0.31) ATM
SCHEMBL8764036 0.90 SMN1; SMN2 (0.32) SMN1; SMN2HPGDNFE2L2MAPTAKR1C3
SCHEMBL8731887 0.89 NFE2L2 (0.35) SMN1; SMN2HPGDNFE2L2AKR1C3AKR1C2
SCHEMBL8764675 0.88 CTSS (0.32) SMN1; SMN2HPGDNFE2L2ATMLMNA
SCHEMBL8729865 0.87 NFE2L2 (0.34) SMN1; SMN2HPGDNFE2L2AKR1C3AKR1C2
SCHEMBL8762933 0.85
SCHEMBL8732747 0.84 NFE2L2 (0.33) SMN1; SMN2HPGDNFE2L2ATMLMNA
SCHEMBL8729845 0.83 SMN1; SMN2 (0.33) SMN1; SMN2HPGDNFE2L2AKR1C3AKR1C2
SCHEMBL8729873 0.83 ATM (0.34) SMN1; SMN2NFE2L2ATMMAOBKDM4E

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