SCHEMBL6447014

SCHEMBL6447014

CCCCCCC(C)OC(=O)OC1CCC(OC(=O)OC(C)CCCCCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
NAAA Q02083 3/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCB1 P08183 1/20 0.38
MAPT P10636 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 2/20 0.37

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
SCHEMBL10955750 0.89 FAAH (0.41) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10955780 0.89 FAAH (0.41) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10956601 0.88 FAAH (0.40) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10958452 0.88 FAAH (0.40) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10954096 0.88 FAAH (0.40) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10950211 0.88 FAAH (0.40) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10957740 0.88 MAPT (0.42) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10957755 0.88 MAPT (0.42) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10954135 0.88 FAAH (0.40) FAAHCNR1CNR2NAAAALDH1A1
SCHEMBL10955072 0.88 FAAH (0.40) FAAHCNR1CNR2NAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP claimed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed