SCHEMBL8650254

SCHEMBL8650254

O=S(=O)(CC(F)(F)F)OS(c1ccc(OC2CCCCO2)cc1)(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CXCR4 P61073 1/20 0.34
TNK2 Q07912 2/20 0.32
DHFR P00374 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP1 P03956 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8645303 0.96 CXCR4 (0.38) MEN1KMT2ACXCR4LMNAHTT
SCHEMBL8646303 0.96 MEN1 (0.36) MEN1KMT2ACXCR4TNK2DHFR
SCHEMBL8649073 0.92 LMNA (0.39) MEN1KMT2ACXCR4LMNAHTT
SCHEMBL8651827 0.92 GAA (0.33) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL8650000 0.88 GAA (0.35) KMT2ACXCR4LMNAHTTMMP2
SCHEMBL8649659 0.86 DHFR (0.40) MEN1KMT2ADHFRHSD11B1ALDH1A1
SCHEMBL8648783 0.86 DHFR (0.39) MEN1KMT2ADHFRLMNAHTT
SCHEMBL8649688 0.83 TSHR (0.38) MEN1KMT2ADHFRLMNAHTT
SCHEMBL8649669 0.82 DHFR (0.35) DHFRHTTHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL8648971 0.82 TSHR (0.36) MEN1KMT2ADHFRLMNAHTT

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