Decane

Decane

SCHEMBL6385306

CCCCCCCCCC.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CCC1C2

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
EPHX2 P34913 7/20 0.33
CES1 P23141 5/20 0.31
FAAH O00519 3/20 0.31
CES2 O00748 2/20 0.31
PANK3 Q9H999 1/20 0.31
CNR2 P34972 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
SCHEMBL14040417 0.88 CNR2 (0.32) EPHX2CNR2
SCHEMBL16385622 0.88 CNR2 (0.32) EPHX2CNR2
SCHEMBL97345 0.88 CNR2 (0.32) EPHX2CNR2
SCHEMBL14491221 0.88 CNR2 (0.32) EPHX2CNR2
SCHEMBL4995636 0.87 CNR2 (0.32) CNR2
SCHEMBL973978 0.86 ALDH1A1 (0.33) PANK3CNR2
SCHEMBL6385314 0.82 RECQL (0.38) EPHX1EPHX2CES1CES2
SCHEMBL23021671 0.79
SCHEMBL12256432 0.79 CNR2 (0.31) CNR2
SCHEMBL13636515 0.79 ALDH1A1 (0.34) CNR2

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
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed