SCHEMBL29115773

SCHEMBL29115773

CC(C)(C)OC(=O)C(C#N)=C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
TNFRSF1A P19438 1/20 0.37
PTGS2 P35354 5/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
EGFR P00533 1/20 0.34
F2R P25116 1/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL29115778 0.90 SYK (0.41) SYKTNFRSF1APTGS2ALOX5PTGS1
SCHEMBL29115781 0.89 PTGS2 (0.44) TNFRSF1APTGS2ALOX5PTGS1EGFR
SCHEMBL29115857 0.87 PTGS2 (0.39) SYKTNFRSF1APTGS2ALOX5PTGS1
SCHEMBL29115794 0.83 PTGS2 (0.37) TNFRSF1APTGS2ALOX5PTGS1EGFR
SCHEMBL29115862 0.81 MEN1 (0.37) SYKTNFRSF1APTGS2ALOX5PTGS1
SCHEMBL29115856 0.79 PDE4A (0.36) EGFRMEN1NPC1RAB9AKMT2A
SCHEMBL29115749 0.78 PTGS2 (0.44) SYKTNFRSF1APTGS2ALOX5PTGS1
SCHEMBL29115791 0.75 ALDH1A1 (0.49) TNFRSF1APTGS2ALOX5PTGS1NPC1
SCHEMBL29115673 0.75 GABRA1 (0.49) GABRB1GABRB2PTGS1CTSSCTSK
SCHEMBL29405212 0.74 PTGS2 (0.55) SYKTNFRSF1APTGS2ALOX5PTGS1

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