SCHEMBL31235686

SCHEMBL31235686

CCOCCCOC(=O)CC#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
NAAA Q02083 1/20 0.37
THRB P10828 1/20 0.35
MCL1 Q07820 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DGKA P23743 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CES2 O00748 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL31235659 0.98 TSHR (0.38) ALDH1A1TSHRNAAATHRBMCL1
SCHEMBL31235666 0.98 TSHR (0.38) ALDH1A1TSHRNAAATHRBMCL1
SCHEMBL11282457 0.93 TSHR (0.41) ALDH1A1TSHRNAAATHRBRAD52
SCHEMBL2856228 0.89 ALDH1A1 (0.52) ALDH1A1TSHRTHRBMCL1MEN1
SCHEMBL3783247 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTHRBMCL1MEN1
SCHEMBL28716408 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTHRBMCL1MEN1
SCHEMBL23231149 0.86 MCL1 (0.40) ALDH1A1NAAAMCL1MEN1KMT2A
SCHEMBL23229652 0.85 NAAA (0.53) ALDH1A1NAAAMCL1MEN1KMT2A
SCHEMBL31235624 0.84 ALDH1A1 (0.33) ALDH1A1TSHRNAAAMCL1MEN1
SCHEMBL31235634 0.84 ALDH1A1 (0.33) ALDH1A1TSHRNAAAMCL1MEN1

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
WO-2024203772-A1 METHOD FOR PRODUCING ALPHA-CYANOACRYLATE 東亞合成株式会社 2024-10-03 WO disclosed