SCHEMBL7266236

SCHEMBL7266236

Cc1ccc(S(=O)(=O)OCC(OC2CCCCO2)c2cccc(O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC12A2 P55011 1/20 0.32
SLC12A5 Q9H2X9 1/20 0.32
SLC6A3 Q01959 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
KDR P35968 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
STS P08842 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PTGER4 P35408 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
SCHEMBL7261713 0.91 SLC12A2 (0.34) CA1CA2SLC12A2SLC12A5MEN1
SCHEMBL7265064 0.89 PTGER4 (0.39) OPRD1OPRK1OPRM1PTGER4
SCHEMBL7265069 0.89 PTGER4 (0.39) OPRD1OPRK1OPRM1PTGER4
SCHEMBL7265077 0.89 PTGER4 (0.39) OPRD1OPRK1OPRM1PTGER4
SCHEMBL7266180 0.89 PTGER4 (0.39) OPRD1OPRK1OPRM1PTGER4
SCHEMBL7266212 0.88 GAA (0.35) POLBGAACA1CA2SLC12A2
SCHEMBL5157122 0.88 SLC6A3 (0.37) SLC12A2SLC12A5SLC6A3
SCHEMBL5157441 0.88 SLC6A3 (0.37) SLC12A2SLC12A5SLC6A3
SCHEMBL5160747 0.88 SLC6A3 (0.37) SLC12A2SLC12A5SLC6A3
SCHEMBL5157296 0.87 OPRD1 (0.36) GAACA1CA2OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642395-B1 Esterifying mandelic acid derivative; protecting hydroxyl group and reducing ester; sulfonating and epoxidizing MITSUBISHI RAYON CO., LTD. (JP) 2003-11-04 US disclosed
EP-1236714-A1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2002-09-04 EP disclosed