SCHEMBL27339604

SCHEMBL27339604

CC(OC(=O)c1ccc(C#N)cc1)C(=O)OCCOC(=O)C(C)OC(=O)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.43
GSK3B P49841 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CYP4F2 P78329 1/20 0.42

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
SCHEMBL13624641 0.89 ADRB2 (0.44) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL15908120 0.81 TDP1 (0.48) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL14393303 0.80 CA1 (0.61) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL13611336 0.80 LMNA (0.54) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL13624645 0.78 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL28017945 0.77 PKM (0.58) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL13611323 0.77 CYP4F2 (0.43) ALDH1A1MAPTTDP1L3MBTL1TSHR
SCHEMBL12455604 0.76 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL16573655 0.76 CYP3A4 (0.50) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL16270212 0.75 L3MBTL1 (0.40) ADRB2ADRB1ADRB3ALDH1A1MAPT

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-4389263-A1 SUBSTITUTED TRIANGLAMINE AND USES THEREOF Centre national de la recherche scientifique (FR) 2024-06-26 EP disclosed