SCHEMBL8501642

SCHEMBL8501642

C=CCc1cccc(C(F)(F)C(F)(F)C(F)F)c1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
BCHE P06276 4/20 0.33
ACHE P22303 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 3/20 0.32
MAPK1 P28482 1/20 0.32
C5AR1 P21730 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
G6PD P11413 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
SCHEMBL3838725 0.83 DHODH (0.37) DHODHBCHEACHEALDH1A1MEN1
SCHEMBL8499995 0.82 MEN1 (0.38) DHODHALDH1A1MEN1KMT2AGAA
SCHEMBL8501650 0.79 LMNA (0.37) DHODHALDH1A1MEN1KMT2AGAA
SCHEMBL3840929 0.78 MEN1 (0.40) DHODHBCHEACHEALDH1A1MEN1
SCHEMBL8502258 0.78 MEN1 (0.40) DHODHBCHEACHEALDH1A1MEN1
SCHEMBL8502387 0.75 DHODH (0.38) DHODHBCHEACHEALDH1A1MEN1
SCHEMBL8501133 0.73 FFAR4 (0.38) ALDH1A1MEN1KMT2AGAACYP2C19
SCHEMBL3840958 0.71 DHODH (0.44) DHODHBCHEACHEALDH1A1MEN1
SCHEMBL9872956 0.70 GAA (0.46) BCHEACHEALDH1A1MEN1KMT2A
SCHEMBL25337084 0.69 AKR1B1 (0.54) DHODHMEN1KMT2AGAACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956312-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR Corporation (JP) 1999-11-17 EP disclosed
WO-1998033836-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORPORATION (JP) 1998-08-06 WO disclosed