SCHEMBL8649073

SCHEMBL8649073

O=S(=O)(CC(F)(F)F)OS(c1ccccc1)(c1ccc(OC2CCCO2)cc1)c1ccc(OC2CCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCR4 P61073 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
THRB P10828 2/20 0.33
S1PR3 Q99500 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP1 P03956 1/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
AOC2 O75106 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
SCHEMBL8646303 0.97 MEN1 (0.36) LMNAMEN1HTTKMT2ACXCR4
SCHEMBL8645303 0.95 CXCR4 (0.38) LMNAMEN1HTTKMT2ACXCR4
SCHEMBL8650254 0.92 MEN1 (0.35) LMNAMEN1HTTKMT2ACXCR4
SCHEMBL8648971 0.90 TSHR (0.36) LMNAMEN1HTTKMT2ATSHR
SCHEMBL8650000 0.87 GAA (0.35) LMNAHTTKMT2ACXCR4ALDH1A1
SCHEMBL8648783 0.87 DHFR (0.39) LMNAMEN1HTTKMT2ATSHR
SCHEMBL8649688 0.87 TSHR (0.38) LMNAMEN1HTTKMT2ATSHR
SCHEMBL8651827 0.84 GAA (0.33) MEN1KMT2AMMP2MMP9MMP1
SCHEMBL8649659 0.83 DHFR (0.40) MEN1KMT2ATSHRALDH1A1HPGD
SCHEMBL8323058 0.82 LMNA (0.40) LMNAMEN1HTTKMT2ACXCR4

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