SCHEMBL4185594

SCHEMBL4185594

CCC(=O)OC.CCC(=O)OC.COC(=O)CC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.45
TSHR P16473 5/20 0.40
HSD17B10 Q99714 4/20 0.37
GAA P10253 4/20 0.37
MGAM O43451 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 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
SCHEMBL180857 0.91
Alcohol SCHEMBL27744918 0.88 MCL1 (0.46) MCL1TSHRHSD17B10GAAMGAM
Methane SCHEMBL28190838 0.88 MCL1 (0.48) MCL1TSHRHSD17B10GAAMGAM
Methane SCHEMBL28190144 0.88
SCHEMBL29285367 0.88
SCHEMBL5357381 0.88
Acetic Acid SCHEMBL28194469 0.84 MCL1 (0.44) MCL1TSHRHSD17B10GAAMGAM
SCHEMBL27864116 0.84 MCL1 (0.44) MCL1TSHRHSD17B10GAAMGAM
SCHEMBL28158885 0.84 MCL1 (0.44) MCL1TSHRHSD17B10GAAMGAM
Acetonitrile SCHEMBL28201793 0.83

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 5 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