SCHEMBL4412014

SCHEMBL4412014

NNC(=O)CCOCCCCOCCC(=O)NN

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.46
CTSD P07339 1/20 0.46
KDM5C P41229 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
TLR2 O60603 2/20 0.32
CES2 O00748 1/20 0.30

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
SCHEMBL4411666 0.95 GAA (0.62) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL4409617 0.93 GAA (0.57) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL4409987 0.90 GAA (0.55) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL4414727 0.90 GAA (0.55) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL17167821 0.86 GAA (0.53) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL24533284 0.84 GAA (0.50) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL18588233 0.82 GAA (0.48) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL24533303 0.82 CTSD (0.60) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL29346388 0.82 GAA (0.48) GAACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL17405127 0.81 GAA (0.68) GAACYP1A2CYP3A4CYP2C19CTSD

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-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed