SCHEMBL5862453

SCHEMBL5862453

CCCCCC(C)OC(=O)CC(=O)OC(C)CCCCC

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.72
CNR1 P21554 1/20 0.72
CNR2 P34972 1/20 0.72
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
NAAA Q02083 1/20 0.47
CA1 P00915 2/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.44
EPHX2 P34913 1/20 0.43
ABCB1 P08183 1/20 0.41

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
SCHEMBL7945793 0.98 FAAH (0.75) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL28507254 0.98 FAAH (0.75) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL1042652 0.98 FAAH (0.75) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL8506453 0.98 FAAH (0.75) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL28729643 0.96 FAAH (0.73) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL905446 0.94 FAAH (0.64) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL905488 0.94 FAAH (0.64) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL6828062 0.90 FAAH (0.66) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL29133861 0.90 FAAH (0.66) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL7945794 0.89 FAAH (0.69) FAAHCNR1CNR2ALDH1A1LMNA

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
US-7060818-B2 Synthesis of macrocyclic tetraamido compounds and new metal insertion process CARNEGIE MELLON UNIVERSITY (US) 2006-06-13 US disclosed
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed
US-4428887-A Method of producing mono-substituted terminal diesters MONSANTO COMPANY (US) 1984-01-31 US disclosed