SCHEMBL6421591

SCHEMBL6421591

CCCCCC([O])OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
CA1 P00915 2/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
TP53 P04637 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
FAAH O00519 4/20 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
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
FDPS P14324 1/20 0.34
SMPD1 P17405 3/20 0.34
ACE2 Q9BYF1 1/20 0.34
GPR84 Q9NQS5 2/20 0.33

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
SCHEMBL5961096 0.93 L3MBTL1 (0.35) OPRM1CA1ZDHHC7FDPS
SCHEMBL5961053 0.84 ALDH1A1 (0.33) CA1
SCHEMBL5961135 0.83 OPRM1 (0.39) OPRM1CA1ZDHHC7TP53LCK
SCHEMBL5961097 0.81 OPRM1 (0.38) OPRM1CA1ZDHHC7TP53LCK
SCHEMBL2671272 0.79 ZDHHC7 (0.41) OPRM1CA1ZDHHC7TP53LCK
SCHEMBL2670949 0.79 ZDHHC7 (0.41) OPRM1CA1ZDHHC7LCKPPARD
SCHEMBL628104 0.79 OPRM1 (0.44) OPRM1CA1ZDHHC7TP53LCK
SCHEMBL2670779 0.79 DNM1 (0.45) OPRM1CA1ZDHHC7LCKPPARD
SCHEMBL10427412 0.79 DNM1 (0.42) OPRM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL14778484 0.77 OPRM1 (0.42) OPRM1CA1TP53ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed