SCHEMBL11047925

SCHEMBL11047925

CCCC(C)(O)C1(CCCC2OC(COCc3ccccc3)O2)SCCCS1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.32
CDC25B P30305 1/20 0.32
OGA O60502 1/20 0.31
LMNA P02545 1/20 0.31
DRD1 P21728 1/20 0.30
LOX P28300 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
SCHEMBL11050779 0.96 PTPN1 (0.33) PTPN1CDC25BOGA
SCHEMBL11047861 0.94 PTPN1 (0.36) PTPN1CDC25BOGA
SCHEMBL11049138 0.93 OGA (0.32) PTPN1CDC25BOGALMNADRD1
SCHEMBL11045989 0.90 OGA (0.33) PTPN1CDC25BOGALMNADRD1
SCHEMBL11046789 0.71 LMNA (0.39) OGALMNADRD1
SCHEMBL10441900 0.61 PTPN1 (0.46) PTPN1CDC25B
SCHEMBL712254 0.60 TSHR (0.48) LMNADRD1
SCHEMBL10365234 0.60 ENPP2 (0.51) PTPN1CDC25BLMNA
SCHEMBL713523 0.60 TSHR (0.52) LMNADRD1
SCHEMBL28286060 0.60 TSHR (0.44) PTPN1CDC25BLMNA

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
US-4482730-A Synthesis of dioxabicyclo[3.2.1]octanes and oxepanes ORTHO PHARMACEUTICAL CORPORATION (US) 1984-11-13 US disclosed
US-4387234-A Synthesis of dioxabicyclo[3.2.1]octanes and oxepanes ORTHO PHARMACEUTICAL CORPORATION (US) 1983-06-07 US disclosed
US-4322353-A Synthesis of dioxabicyclo(3.2.1)octanes and oxepanes ORTHO PHARMACEUTICAL CORPORATION (US) 1982-03-30 US disclosed
EP-0038696-A2 Synthesis of dioxabicyclo(3.2.1.)octanes and oxepanes ORTHO PHARMACEUTICAL CORPORATION (US) 1981-10-28 EP disclosed