SCHEMBL5538149

SCHEMBL5538149

CCCCCCCCCCC(C)OCC[O]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMPD1 P17405 3/20 0.37
ACE2 Q9BYF1 1/20 0.37
FDPS P14324 3/20 0.36
GPR84 Q9NQS5 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL4602462 1.00 FAAH (0.42) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL3804996 1.00 FAAH (0.42) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL7139631 1.00 FAAH (0.42) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL16599698 0.98 FAAH (0.40) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL2529150 0.91 EPHX2 (0.38) FAAHCNR1CNR2OPRM1FDPS
SCHEMBL2575438 0.89 FAAH (0.44) FAAHCNR1CNR2ALDH1A1
SCHEMBL16599773 0.88 FAAH (0.39) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL3039218 0.85 DNM1 (0.48) FAAHCNR1CNR2OPRM1SPHK1
SCHEMBL13500020 0.85 OPRM1 (0.42) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL19219115 0.85 DNM1 (0.48) FAAHCNR1CNR2OPRM1SPHK1

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-1163902-B1 Transdermal preparation containing hydrophilic or salt-form drug PACIFIC CORP (KR) 2007-01-17 EP claimed