SCHEMBL9420752

SCHEMBL9420752

C=C(C)C(=O)NCCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
THRB P10828 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.39
EPHX2 P34913 1/20 0.39
ACHE P22303 2/20 0.39
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8949910 0.93 THRB (0.41) MEN1KMT2ATHRBMAPTTSHR
SCHEMBL5528349 0.93 THRB (0.41) MEN1KMT2ATHRBMAPTTSHR
SCHEMBL2535258 0.91 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL29519318 0.91 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL29519084 0.91 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL29519177 0.91 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7530528 0.91 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL24496157 0.91 ALDH1A1 (0.41) MEN1KMT2ATHRBMAPTTSHR
SCHEMBL50311 0.89 MEN1 (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5413785 0.89 ALDH1A1 (0.40) MEN1KMT2ATHRBMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280078-A Homopolymers and copolymers of acrylamide N-substituted acrylamide or N-substituted methacrylamide solid state cross-linked with polyamines or polyols GREGOR HARRY P (US) 1994-01-18 US disclosed
EP-0240586-B1 POST-CROSS-LINKED POLYMERIC GELS Gregor, Harry P. (US) 1993-01-20 EP disclosed
US-4705753-A Biologically active acrylonitrile-based copolymeric membrane GREGOR HARRY P (US) 1987-11-10 US disclosed