SCHEMBL4469346

SCHEMBL4469346

CCCCCCC=CN(C)CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.50
FAAH O00519 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 2/20 0.46
TERT O14746 3/20 0.46
PTPN1 P18031 3/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
MAPT P10636 2/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FABP4 P15090 2/20 0.46
TOP1 P11387 2/20 0.46
GMNN O75496 1/20 0.46

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
Acetic Acid SCHEMBL28970307 0.78 TERT (0.53) FAAHCYP1A2CYP2C19KMT2ATERT
SCHEMBL9118984 0.78 TERT (0.48) SOAT1FAAHCYP1A2CYP2C19KMT2A
SCHEMBL30713063 0.77 FAAH (0.46) SOAT1FAAHCYP1A2CYP2C19KMT2A
SCHEMBL9807728 0.77 FAAH (0.46) SOAT1FAAHCYP1A2CYP2C19KMT2A
SCHEMBL9807731 0.77 FAAH (0.46) SOAT1FAAHCYP1A2CYP2C19KMT2A
Ammonia Solution, Strong SCHEMBL30713068 0.75 FAAH (0.45) SOAT1FAAHCYP1A2CYP2C19KMT2A
SCHEMBL9788737 0.75 DNM1 (0.46) FAAHCYP1A2CYP2C19MAPTBLM
SCHEMBL22558363 0.74 TERT (0.58) FAAHCYP1A2CYP2C19KMT2ATERT
SCHEMBL19093967 0.74 CNR1 (0.47) FAAHCYP1A2CYP2C19MAPTBLM
SCHEMBL10939149 0.73 TERT (0.52) SOAT1FAAHCYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714977-B1 Synthesis of cyclosporin analogs ISOTECHNIKA INC (CA) 2009-03-11 EP claimed
EP-1714977-A2 Synthesis of cyclosporin analogs Isotechnika Inc. (CA) 2006-10-25 EP claimed
EP-1436321-A2 SYNTHESIS OF CYCLOSPORIN ANALOGS Isotechnika Inc. (CA) 2004-07-14 EP claimed
US-20030212249-A1 Synthesis of cyclosporin analogs ISOTECHNIKA, INC. (CA) 2003-11-13 US claimed
WO-2003033526-A2 SYNTHESIS OF CYCLOSPORIN ANALOGS ISOTECHNIKA INC. (CA) 2003-04-24 WO claimed
EP-1714977-B1 Synthesis of cyclosporin analogs ISOTECHNIKA INC (CA) 2009-03-11 EP disclosed
EP-1714977-A2 Synthesis of cyclosporin analogs Isotechnika Inc. (CA) 2006-10-25 EP disclosed