SCHEMBL7083113

SCHEMBL7083113

CCCC1COC(CO)(CO)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
POLB P06746 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
SCHEMBL38654378 0.89 ALDH1A1 (0.39) KDM4E
SCHEMBL7086056 0.85 POLB (0.37) KDM4EPOLB
SCHEMBL12943644 0.83 HSP90AA1 (0.33) HSP90AA1NPSR1CYP3A4
SCHEMBL28691351 0.79
SCHEMBL5133602 0.76 ALDH1A1 (0.32) KDM4E
SCHEMBL2879251 0.76 ALDH1A1 (0.32) KDM4E
SCHEMBL11759291 0.73 ALDH1A1 (0.36)
SCHEMBL10304985 0.72 CA2 (0.46) KDM4EHSP90AA1NPSR1CYP3A4
SCHEMBL8721925 0.72 HSP90AA1 (0.34) HSP90AA1NPSR1CYP3A4
SCHEMBL8330854 0.72 CA2 (0.46) KDM4EHSP90AA1NPSR1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030108495-A1 Cosmetic compositions containing 2,2-dihydroxymethy1-1,3-dioxolanes STROUD ERIC MATTHEW (US) 2003-06-12 US disclosed