SCHEMBL23229652

SCHEMBL23229652

CCC(=O)OCCCOC(=O)CC#N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
HTT P42858 1/20 0.40
MCL1 Q07820 4/20 0.36
DGKA P23743 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 1/20 0.33
DNM1 Q05193 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL23231149 0.89 MCL1 (0.40) NAAAHTTMCL1DGKAALDH1A1
SCHEMBL317392 0.86 ALDH1A1 (0.50) NAAAMCL1DGKAALDH1A1RAD52
SCHEMBL20368988 0.85 NAAA (0.41) NAAAHTTMCL1DGKAALDH1A1
SCHEMBL31235686 0.85 ALDH1A1 (0.39) NAAAMCL1DGKAALDH1A1RAD52
SCHEMBL13717269 0.84 NAAA (0.48) NAAAMCL1DGKAALDH1A1RAD52
SCHEMBL667293 0.84 ALDH1A1 (0.36) NAAAMCL1DGKAALDH1A1RAD52
SCHEMBL2855420 0.84 NAAA (0.59) NAAADGKAALDH1A1RAD52NPSR1
SCHEMBL11439048 0.84 ALDH1A1 (0.48) NAAAMCL1DGKAGAAALDH1A1
SCHEMBL31235666 0.83 TSHR (0.38) NAAAMCL1DGKAALDH1A1RAD52
SCHEMBL31235659 0.83 TSHR (0.38) NAAAMCL1DGKAALDH1A1RAD52

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-2021070799-A1 ADHESIVE AGENT COMPOSITION 住友化学株式会社 2021-04-15 WO disclosed