SCHEMBL8646303

SCHEMBL8646303

O=S(=O)(CC(F)(F)F)OS(c1ccccc1)(c1ccccc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
ACP1 P24666 1/20 0.33
TNK2 Q07912 1/20 0.32
DHFR P00374 1/20 0.32
NR1I2 O75469 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CXCR4 P61073 1/20 0.32
IDH2 P48735 3/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
S1PR3 Q99500 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
SCHEMBL8649073 0.97 LMNA (0.39) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL8650254 0.96 MEN1 (0.35) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL8645303 0.92 CXCR4 (0.38) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL8648783 0.91 DHFR (0.39) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL8651827 0.88 GAA (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL8648971 0.87 TSHR (0.36) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL8649659 0.87 DHFR (0.40) MEN1KMT2AALDH1A1DHFRKDM4C
SCHEMBL8650000 0.84 GAA (0.35) KMT2ALMNAHTTALDH1A1CXCR4
SCHEMBL8649688 0.83 TSHR (0.38) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL8317953 0.83 LMNA (0.37) MEN1KMT2ALMNAHTTALDH1A1

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