SCHEMBL7448934

SCHEMBL7448934

O=S(=O)(OCCC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 4/20 0.37
PARL Q9H300 1/20 0.37
PSIP1 O75475 1/20 0.36
RORC P51449 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
NR1H2 P55055 2/20 0.33
KMT2A Q03164 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL4142301 0.83 PTGS2 (0.42) PTGS2ALDH1A1PARLPSIP1RORC
SCHEMBL8906467 0.81 PTGS2 (0.41) PTGS2ALDH1A1PARLPSIP1RORC
SCHEMBL3343193 0.80 ALDH1A1 (0.39) ALDH1A1CA1CA2KMT2A
SCHEMBL5369470 0.79 CA1 (0.39) ALDH1A1CA1CA2KMT2A
SCHEMBL5365715 0.79 CA1 (0.39) ALDH1A1CA1CA2KMT2A
SCHEMBL31619589 0.77 PTGS2 (0.40) PTGS2ALDH1A1PARLPSIP1RORC
SCHEMBL3449015 0.76 PARL (0.50) ALDH1A1PARLPSIP1TDP1HSD17B10
SCHEMBL4138404 0.76 PARL (0.41) PTGS2ALDH1A1PARLPSIP1RORC
SCHEMBL13749710 0.76 TDP1 (0.37) PTGS2TDP1CA1CA2
SCHEMBL12724000 0.75 PTGS2 (0.39) PTGS2ALDH1A1PARLPSIP1RORC

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
US-20020058200-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2002-05-16 US disclosed