SCHEMBL5310311

SCHEMBL5310311

CCCCCCCC(OC(C)(OC)OCC)(OC(C)(OC)OCC)C(C)(OC(C)(OC)OCC)C(=O)C(C)(OC(C)(OC)OCC)C(CCCCCCC)(OC(C)(OC)OCC)OC(C)(OC)OCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACAT1 P24752 1/20 0.33
SOAT1 P35610 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMPD1 P17405 1/20 0.30
GGPS1 O95749 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
SCHEMBL5314198 1.00 CES2 (0.35) CES2MAPTKDM4ETP53CYP3A4
SCHEMBL5314753 0.94
SCHEMBL5313672 0.88
SCHEMBL5312174 0.83 MAPT (0.34) CES2MAPTKDM4ETP53CYP3A4
SCHEMBL5312536 0.83 MAPT (0.34) CES2MAPTKDM4ETP53CYP3A4
SCHEMBL5370010 0.75
SCHEMBL5313634 0.68
SCHEMBL4599845 0.66 ALDH1A1 (0.36) TSHR
SCHEMBL9737323 0.64 ALDH1A1 (0.44) TSHR
SCHEMBL165416 0.63 MEN1 (0.40) CES2MAPTALOX15TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840158-A1 METHOD FOR VULCANIZATION AND ADHESION OF RUBBER COMPOSITION WITH ARTICLE TO BE ADHERED BEING MADE OF BRASS OR PLATED WITH BRASS, REINFORCING MATERIAL FOR RUBBER ARTICLE, RUBBER-REINFORCING MATERIAL COMPOSITE, AND PNEUMATIC TIRE Bridgestone Corporation (JP) 2007-10-03 EP disclosed