SCHEMBL7614002

SCHEMBL7614002

FC(F)F.O=Cc1ccccc1OS(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SRC P12931 2/20 0.46
LMNA P02545 4/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL5024306 0.93 ALDH1A1 (0.62) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL28349910 0.91 ALDH1A1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL11585504 0.91 ALDH1A1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL9543056 0.81 SRC (0.76) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL29743115 0.77 ALDH1A1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL731975 0.77 ALDH1A1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL15398867 0.76 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL15398866 0.76 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL28986963 0.75 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL514247 0.74 SLC22A6 (0.53) ALDH1A1HTTSMN1; SMN2LMNASLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO disclosed