SCHEMBL8649688

SCHEMBL8649688

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
DHFR P00374 1/20 0.37
GRM2 Q14416 3/20 0.34
HSD11B1 P28845 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
HTR6 P50406 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH2 P48735 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
S1PR3 Q99500 1/20 0.31
TP53 P04637 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) TSHRDHFRGRM2HSD11B1DDB1
SCHEMBL8649659 0.97 DHFR (0.40) TSHRDHFRGRM2HSD11B1DDB1
SCHEMBL8648783 0.94 DHFR (0.39) TSHRDHFRGRM2HSD11B1DDB1
SCHEMBL8649675 0.91 GAA (0.35) TSHRDHFRGRM2HSD11B1DDB1
SCHEMBL8649669 0.88 DHFR (0.35) TSHRDHFRGRM2HSD11B1DDB1
SCHEMBL8649073 0.87 LMNA (0.39) TSHRALDH1A1HPGDLMNAMEN1
SCHEMBL8645303 0.86 CXCR4 (0.38) TSHRALDH1A1HPGDLMNAMEN1
SCHEMBL8646303 0.83 MEN1 (0.36) TSHRDHFRALDH1A1LMNAMEN1
SCHEMBL8650254 0.83 MEN1 (0.35) DHFRHSD11B1ALDH1A1HPGDLMNA
SCHEMBL8649233 0.80 TP53 (0.39) TSHRDHFRHSD11B1DDB1CRBN

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