SCHEMBL17023235

SCHEMBL17023235

CC(N)=C1C(=O)CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
BAZ2B Q9UIF8 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL12588776 0.78 ALDH1A1 (0.37) MEN1ALDH1A1KMT2ASMN1; SMN2BAZ2B
SCHEMBL24702524 0.73
SCHEMBL7323969 0.70 ALDH1A1 (0.44) ALDH1A1POLBTDP1MAPT
Butanedione SCHEMBL5077409 0.69 TSHR (0.44) SMN1; SMN2BAZ2BTP53MAPT
SCHEMBL2927288 0.67 MEN1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL6793523 0.67 ALDH1A1 (0.33) MEN1ALDH1A1KMT2ABAZ2BPOLB
SCHEMBL13696907 0.67 HTT (0.37) MEN1ALDH1A1KMT2A
SCHEMBL15592911 0.66 MEN1 (0.36) MEN1ALDH1A1KMT2ASMN1; SMN2BAZ2B
SCHEMBL289021 0.65
SCHEMBL8114600 0.65

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-2627634-B1 A NEW DIMEDON DERIVATIVE AND A METHOD FOR THE PURIFICATION OF PNA AND PEPTIDE OLIGOMERS DEUTSCHES KREBSFORSCH (DE) 2015-08-26 EP disclosed