SCHEMBL5157296

SCHEMBL5157296

CS(=O)(=O)OCC(OC1CCCCO1)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC6A3 Q01959 5/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
KDR P35968 1/20 0.35
PTGER4 P35408 1/20 0.33
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RCE1 Q9Y256 1/20 0.32
PTPN1 P18031 1/20 0.30

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
SCHEMBL5173257 0.88 HPGD (0.33) SLC6A3PTGER4KDM4EALDH1A1
SCHEMBL5160143 0.87 PTGER4 (0.42) SLC6A3SLC6A4PTGER4
SCHEMBL5157129 0.87 PTGER4 (0.42) SLC6A3SLC6A4PTGER4
SCHEMBL5156124 0.87 ADRB3 (0.34) SLC6A3PTGER4CA1CA2ALDH1A1
SCHEMBL5157125 0.87 PTGER4 (0.42) SLC6A3SLC6A4PTGER4
SCHEMBL5160153 0.87 PTGER4 (0.42) SLC6A3SLC6A4PTGER4
SCHEMBL5154909 0.87 PTGER4 (0.42) SLC6A3SLC6A4PTGER4
SCHEMBL5157133 0.87 PTGER4 (0.42) SLC6A3SLC6A4PTGER4
SCHEMBL5157695 0.87 PTGER4 (0.42) SLC6A3SLC6A4PTGER4
SCHEMBL7266236 0.87 POLB (0.33) OPRD1OPRK1SLC6A3SLC6A4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236714-B1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE MITSUBISHI RAYON CO (JP) 2007-01-17 EP disclosed
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