SCHEMBL4185593

SCHEMBL4185593

COC(=O)C(C)N(C(C)C(=O)OC)C(C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
CA14 Q9ULX7 3/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP7 P55210 1/20 0.41
CA12 O43570 2/20 0.39
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PLA2G1B P04054 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31

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
SCHEMBL10693470 0.80 SMN1; SMN2 (0.44) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL196927 0.80
SCHEMBL196928 0.80
Hydrochloric Acid SCHEMBL30281004 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL23065552 0.76 CA14 (0.43) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL2627447 0.76 SMN1; SMN2 (0.41) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL22918812 0.76 CA14 (0.43) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL13158086 0.76
SCHEMBL5181916 0.76 SMN1; SMN2 (0.41) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL2627452 0.76 SMN1; SMN2 (0.41) SMN1; SMN2CA14ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1264212-B1 ELEMENTS FOR FORMING PRINT-OUT IMAGES DU PONT (US) 2009-02-18 EP disclosed
US-6869755-B2 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-22 US disclosed
EP-1264212-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. du Pont de Nemours and Company (US) 2002-12-11 EP disclosed
US-20020146649-A1 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-10 US disclosed
WO-2001067175-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2001-09-13 WO disclosed
US-5593660-A Cascade polymers with iodoaromatic compounds SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed