SCHEMBL5314748

SCHEMBL5314748

COC(C)OC(C)OCC(OC(C)OC(C)OC)(OC(C)OC(C)OC)C(C(=O)O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KCNA5 P22460 3/20 0.36
CYP3A4 P08684 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
STAT6 P42226 1/20 0.33

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
SCHEMBL5313668 0.80 KCNA5 (0.32) KCNA5
SCHEMBL15743150 0.73 CYP3A4 (0.44) CYP1A2ALDH1A1KCNA5CYP3A4MEN1
SCHEMBL5311142 0.71 PKM (0.39) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL24327755 0.66 ALDH1A1 (0.47) CYP1A2ALDH1A1KCNA5CYP3A4MEN1
SCHEMBL5040505 0.66 ALDH1A1 (0.47) CYP1A2ALDH1A1KCNA5CYP3A4MEN1
SCHEMBL24328857 0.66 ALDH1A1 (0.47) CYP1A2ALDH1A1KCNA5CYP3A4MEN1
SCHEMBL5317688 0.65 KDM4E (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5312198 0.65 CYP1A2 (0.43) CYP1A2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6264784 0.64 CYP3A4 (0.62) CYP1A2ALDH1A1CYP3A4MEN1GAA
SCHEMBL933349 0.64 CYP3A4 (0.62) CYP1A2ALDH1A1CYP3A4MEN1GAA

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