SCHEMBL29115676

SCHEMBL29115676

CCOC(=O)C(C#N)=C(c1ccc(N(C)C)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
PTGS2 P35354 3/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL29115787 0.89 MIF (0.41) ALDH1A1LMNARECQLPTGS2MAPK1
SCHEMBL29115724 0.89 PTGS2 (0.39) ALDH1A1LMNARECQLPTGS2MAPK1
SCHEMBL29115739 0.87 PTP4A1 (0.40) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL29115861 0.87 MAPT (0.43) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL29115791 0.87 ALDH1A1 (0.49) ALDH1A1LMNARECQLPTGS2MAPK1
SCHEMBL29115694 0.86 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL29115737 0.83 MAPT (0.52) ALDH1A1MEN1KMT2ALMNAPTGS2
SCHEMBL29115857 0.83 PTGS2 (0.39) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL29115729 0.83 LMNA (0.40) ALDH1A1LMNARECQLPTGS2MAPK1
SCHEMBL29115876 0.80 PTGS2 (0.52) ALDH1A1MEN1KMT2ALMNARECQL

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
CN-117069612-A Novel method for synthesizing cyanoacrylate 上海应用技术大学 2023-11-17 CN disclosed