SCHEMBL11045989

SCHEMBL11045989

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.33
LMNA P02545 1/20 0.33
DRD1 P21728 1/20 0.32
PDE4D Q08499 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
TOP2A P11388 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
SCHEMBL11049138 0.91 OGA (0.32) OGALMNADRD1PTPN1CDC25B
SCHEMBL11047925 0.90 PTPN1 (0.32) OGALMNADRD1PTPN1CDC25B
SCHEMBL11050779 0.88 PTPN1 (0.33) OGAPTPN1CDC25B
SCHEMBL11047861 0.87 PTPN1 (0.36) OGAPTPN1CDC25B
SCHEMBL11046789 0.74 LMNA (0.39) OGALMNADRD1PDE4DTAAR1
SCHEMBL712254 0.63 TSHR (0.48) LMNADRD1TAAR1
SCHEMBL713523 0.62 TSHR (0.52) LMNADRD1PDE4DTAAR1
SCHEMBL24965972 0.60 TSHR (0.48) OGALMNATAAR1
Methyl Alcohol SCHEMBL2110245 0.60 LMNA (0.53) LMNADRD1TAAR1PTPN1CDC25B
Methyl Alcohol SCHEMBL7344184 0.60 LMNA (0.53) LMNADRD1TAAR1PTPN1CDC25B

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