SCHEMBL10598677

SCHEMBL10598677

CCCCCCCCCCOc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43.[NaH].[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.48
SLC2A1 P11166 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
S1PR1 P21453 1/20 0.39
PGAM1 P18669 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39

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
SCHEMBL591145 1.00 S1PR3 (0.48) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL22261575 1.00 S1PR3 (0.48) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL15390152 1.00 S1PR3 (0.48) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL22261577 1.00 S1PR3 (0.48) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL4778946 0.99 S1PR3 (0.49) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL31187743 0.99 S1PR3 (0.49) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL4783019 0.99 S1PR3 (0.49) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL31187734 0.99 S1PR3 (0.49) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL3104434 0.99 S1PR3 (0.49) S1PR3SLC2A1THRATHRBMEN1
SCHEMBL31187737 0.99 S1PR3 (0.49) S1PR3SLC2A1THRATHRBMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11150358-B2 Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry RIKEN (JP) 2021-10-19 US disclosed
US-20200333474-A1 RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY RIKEN (JP) 2020-10-22 US disclosed
EP-3686632-A1 RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY Riken (JP) 2020-07-29 EP disclosed
US-4844841-A Pyrenexulfonic acids useful in fluorescent lipid probes KOLLER ERNST (AT) 1989-07-04 US disclosed