SCHEMBL9344140

SCHEMBL9344140

CCCCC[C@@H](O)OC1CCCOC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.38
NAAA Q02083 2/20 0.36
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33

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
SCHEMBL5859489 0.82 PDE4D (0.34) PDE4DPDE4APDE4BPDE4C
SCHEMBL9345699 0.82 NAAA (0.33) PDE4DNAAAPDE4APDE4BPDE4C
SCHEMBL10551706 0.81 NAAA (0.36) PDE4DNAAA
SCHEMBL21250764 0.80 NAAA (0.45) NAAA
SCHEMBL9691813 0.80 PDE4D (0.37) PDE4DPDE4APDE4BPDE4C
SCHEMBL9649930 0.79 NAAA (0.41) PDE4DNAAAPDE4APDE4BPDE4C
SCHEMBL10684490 0.78 OPRM1 (0.38)
SCHEMBL9354090 0.77 PSEN1 (0.32)
SCHEMBL10600595 0.76 PDE4A (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL9345532 0.75 NAAA (0.37) PDE4DNAAAPDE4APDE4BPDE4C

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
US-5275756-A Pyrimidine ether compounds for electrooptical elements TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-01-04 US disclosed
EP-0469893-A1 Fluorinated pyrimidine-phenyl optically active compounds and liquid crystal compositions thereof Takasago International Corporation (JP) 1992-02-05 EP disclosed