SCHEMBL17466005

SCHEMBL17466005

CCOC(=O)C(C#N)c1ccc(C(C#N)C(=O)OCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 2/20 0.58
HTT P42858 2/20 0.41
MMP8 P22894 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIN1 Q13526 1/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 4/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
MMP13 P45452 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6289274 0.95 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL30771326 0.92 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL360667 0.92 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL13700788 0.92 KMT2A (0.51) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL5081149 0.92 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2GAAL3MBTL1
SCHEMBL502194 0.91 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2GAAMMP8
SCHEMBL1042446 0.90 GAA (0.50) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL27920341 0.90 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2GAAMMP8
SCHEMBL7620030 0.89 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL29595371 0.89 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2GAAPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed
WO-2016014122-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY (US) 2016-01-28 WO disclosed