SCHEMBL5160153

SCHEMBL5160153

CS(=O)(=O)OC[C@H](O[C@H]1CCCCO1)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
APLNR P35414 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
AOC3 Q16853 1/20 0.34
IDH2 P48735 2/20 0.34
PRKG1 Q13976 1/20 0.33
HTR6 P50406 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33
ADRB3 P13945 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
SCHEMBL5160143 1.00 PTGER4 (0.42) PTGER4APLNRSLC6A2SLC6A4SLC6A3
SCHEMBL5157133 1.00 PTGER4 (0.42) PTGER4APLNRSLC6A2SLC6A4SLC6A3
SCHEMBL5157125 1.00 PTGER4 (0.42) PTGER4APLNRSLC6A2SLC6A4SLC6A3
SCHEMBL5157129 1.00 PTGER4 (0.42) PTGER4APLNRSLC6A2SLC6A4SLC6A3
SCHEMBL5157695 1.00 PTGER4 (0.42) PTGER4APLNRSLC6A2SLC6A4SLC6A3
SCHEMBL5154909 1.00 PTGER4 (0.42) PTGER4APLNRSLC6A2SLC6A4SLC6A3
SCHEMBL5173257 0.88 HPGD (0.33) PTGER4SLC6A3MAPTAOC3
SCHEMBL5156124 0.87 ADRB3 (0.34) PTGER4SLC6A3ADRB3
SCHEMBL5157296 0.87 OPRD1 (0.36) PTGER4SLC6A4SLC6A3
SCHEMBL7265069 0.87 PTGER4 (0.39) PTGER4APLNRMAPTIDH2PRKG1

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
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