SCHEMBL5156166

SCHEMBL5156166

OC[C@H](OC1CCCCO1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
PRKG1 Q13976 2/20 0.40
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
AOC3 Q16853 1/20 0.36
HTT P42858 1/20 0.36
HTR6 P50406 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5156160 1.00 PTGER4 (0.44) PTGER4PRKG1SLC6A2SLC6A4SLC6A3
SCHEMBL7260416 1.00 PTGER4 (0.44) PTGER4PRKG1SLC6A2SLC6A4SLC6A3
SCHEMBL7260412 1.00 PTGER4 (0.44) PTGER4PRKG1SLC6A2SLC6A4SLC6A3
SCHEMBL7260421 1.00 PTGER4 (0.44) PTGER4PRKG1SLC6A2SLC6A4SLC6A3
SCHEMBL14233518 0.85 SLC6A3 (0.43) PTGER4PRKG1SLC6A3
SCHEMBL5160815 0.85 SLC6A3 (0.43) PTGER4PRKG1SLC6A3
SCHEMBL5160820 0.85 SLC6A3 (0.43) PTGER4PRKG1SLC6A3
SCHEMBL5570712 0.85 SLC6A3 (0.43) PTGER4PRKG1SLC6A3
SCHEMBL6503829 0.85 PTGER4 (0.42) PTGER4PRKG1
SCHEMBL6503832 0.85 PTGER4 (0.42) PTGER4PRKG1

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
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
WO-2005037811-A1 A METHOD FOR THE PRODUCTION OF CHIRAL SUBSTITUTED EPOXIDES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2005-04-28 WO 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