SCHEMBL27880906

SCHEMBL27880906

[O]C(CCCCS(=O)(=O)O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
APP P05067 1/20 0.33
RAD52 P43351 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
SCHEMBL5844523 0.75 EPHX1 (0.38) EPHX1APPTP53
SCHEMBL29211954 0.75 KDM4E (0.34) EPHX1APP
SCHEMBL18047829 0.73 SHBG (0.41) EPHX1
SCHEMBL10650533 0.73 SHBG (0.41) EPHX1
SCHEMBL29332580 0.72 MEN1 (0.49) TP53
SCHEMBL9280160 0.71 EPHX1 (0.47) EPHX1
SCHEMBL24179831 0.71 CPB2 (0.36)
SCHEMBL18047828 0.71 SHBG (0.38) EPHX1
SCHEMBL13717601 0.71 SHBG (0.43) EPHX1
SCHEMBL165817 0.70 CXCR4 (0.46) EPHX1

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
CN-102596204-A Novel nucleic acid prodrugs and methods use thereof ONTORII INC 2012-07-18 CN disclosed