SCHEMBL13246744

SCHEMBL13246744

CCCCCC(C)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
FAAH O00519 5/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CA1 P00915 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
DNM1 Q05193 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL13554082 0.97 OPRM1 (0.44) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL13554098 0.97 OPRM1 (0.44) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL10397806 0.97 OPRM1 (0.44) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL20437082 0.97 OPRM1 (0.44) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL15299174 0.92 DNM1 (0.38) OPRM1FAAHCNR1CNR2CA1
SCHEMBL1484167 0.89 OPRM1 (0.50) OPRM1FAAHCNR1CNR2CA1
SCHEMBL5012572 0.86 OPRM1 (0.48) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL534657 0.86 OPRM1 (0.48) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL1932307 0.86 OPRM1 (0.48) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL7757207 0.86 OPRM1 (0.48) OPRM1FAAHCNR1CNR2SPHK1

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-2213694-A1 12-HYDROXYSTEARIC ACID COPOLYMER AND METHOD FOR PRODUCING THE SAME Keio University (JP) 2010-08-04 EP disclosed