SCHEMBL8648783

SCHEMBL8648783

O=S(=O)(CC(F)(F)F)OS(c1ccccc1)(c1ccccc1)c1cccc(OC2CCCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
HSD11B1 P28845 1/20 0.36
GRM2 Q14416 3/20 0.34
TSHR P16473 1/20 0.34
KAT6A Q92794 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
IDH2 P48735 3/20 0.32
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
S1PR3 Q99500 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL8648971 0.97 TSHR (0.36) DHFRHSD11B1GRM2TSHRKAT6A
SCHEMBL8649659 0.97 DHFR (0.40) DHFRHSD11B1GRM2TSHRKAT6A
SCHEMBL8649688 0.94 TSHR (0.38) DHFRHSD11B1GRM2TSHRMEN1
SCHEMBL8646303 0.91 MEN1 (0.36) DHFRTSHRMEN1KMT2ALMNA
SCHEMBL8649669 0.90 DHFR (0.35) DHFRHSD11B1GRM2TSHRHTT
SCHEMBL8649073 0.87 LMNA (0.39) TSHRMEN1KMT2ALMNAHTT
SCHEMBL8649675 0.87 GAA (0.35) DHFRHSD11B1GRM2TSHRKMT2A
SCHEMBL8650254 0.86 MEN1 (0.35) DHFRHSD11B1MEN1KMT2ALMNA
SCHEMBL8319160 0.84 HSD11B1 (0.41) DHFRHSD11B1KAT6AMEN1KMT2A
SCHEMBL8645303 0.82 CXCR4 (0.38) TSHRMEN1KMT2ALMNAHTT

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed