SCHEMBL4555290

SCHEMBL4555290

CCCCCN(C(=O)OC(C)(C)C)C1CCC2OC2C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
SPHK1 Q9NYA1 1/20 0.31
HSD11B1 P28845 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL4555291 1.00 ADH1C (0.33) ADH1CADH1AADH4SPHK1HSD11B1
SCHEMBL509386 0.85 CCR5 (0.37) HSD11B1
SCHEMBL509385 0.85 CCR5 (0.37) HSD11B1
SCHEMBL509697 0.84 HSD11B1 (0.31) HSD11B1
SCHEMBL509698 0.84 HSD11B1 (0.31) HSD11B1
SCHEMBL508875 0.79 CCR5 (0.32) HSD11B1
SCHEMBL508874 0.79 CCR5 (0.32) HSD11B1
SCHEMBL14204669 0.77 L3MBTL1 (0.39) HSD11B1
SCHEMBL510107 0.76 HSD11B1 (0.44) HSD11B1
SCHEMBL510106 0.76 HSD11B1 (0.44) HSD11B1

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-2137143-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES Nabriva Therapeutics AG (AT) 2009-12-30 EP disclosed
WO-2008113089-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2008-09-25 WO disclosed