SCHEMBL19809999

SCHEMBL19809999

COC(=O)C[C@@]1(C(=O)OC)CCCC(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 1/20 0.31
ATP1B2 P14415 1/20 0.31
ATP1A2 P50993 1/20 0.31
ATP1B3 P54709 1/20 0.31
FXYD2 P54710 1/20 0.31
ATP1A4 Q13733 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL12393353 1.00 NPSR1 (0.33) NPSR1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL13059659 0.88 SMN1; SMN2 (0.33)
SCHEMBL12393389 0.87 NPSR1 (0.33) NPSR1CYP4F2CYP4A11
SCHEMBL1734564 0.87 KARS1 (0.32) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL13059598 0.87 KARS1 (0.32) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10029371 0.86
SCHEMBL13059742 0.78 TP53 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL13059626 0.77 EPHX1 (0.44) NPSR1TP53
SCHEMBL16015456 0.77 EPHX1 (0.44) NPSR1TP53
SCHEMBL7133982 0.77 KLK7 (0.33)

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
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO claimed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP claimed
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO disclosed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP disclosed