SCHEMBL8648971

SCHEMBL8648971

O=S(=O)(CC(F)(F)F)OS(c1ccccc1)(c1cccc(OC2CCCO2)c1)c1cccc(OC2CCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
DHFR P00374 1/20 0.35
S1PR3 Q99500 1/20 0.33
GRM2 Q14416 3/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
KAT6A Q92794 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
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
SCHEMBL8648783 0.97 DHFR (0.39) TSHRLMNAMEN1HTTKMT2A
SCHEMBL8649688 0.97 TSHR (0.38) TSHRLMNAMEN1HTTKMT2A
SCHEMBL8649659 0.94 DHFR (0.40) TSHRMEN1KMT2ADHFRGRM2
SCHEMBL8649073 0.90 LMNA (0.39) TSHRLMNAMEN1HTTKMT2A
SCHEMBL8649675 0.90 GAA (0.35) TSHRHTTKMT2ADHFRGRM2
SCHEMBL8646303 0.87 MEN1 (0.36) TSHRLMNAMEN1HTTKMT2A
SCHEMBL8649669 0.87 DHFR (0.35) TSHRHTTDHFRGRM2HSD11B1
SCHEMBL8645303 0.86 CXCR4 (0.38) TSHRLMNAMEN1HTTKMT2A
SCHEMBL8319790 0.84 DDB1 (0.39) TSHRLMNAMEN1HTTKMT2A
SCHEMBL8650254 0.82 MEN1 (0.35) LMNAMEN1HTTKMT2ADHFR

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