SCHEMBL28952932

SCHEMBL28952932

CCCC(=O)ON1C(=O)C=CC1=O.O=C1CCC(=O)N1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP3 Q96P20 1/20 0.33
PSMB8 P28062 2/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL714989 0.87 ALDH1A1 (0.44) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL70665 0.80 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2NLRP3PSMB8
SCHEMBL20463167 0.78 KMT2A (0.35) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL18122756 0.78 SMN1; SMN2 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28168374 0.77 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL12261668 0.76 SMN1; SMN2 (0.40) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL12804228 0.76 HPGD (0.35) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL2581743 0.76 ALDH1A1 (0.41) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL21385131 0.76 ADORA3 (0.35) ALDH1A1HPGDGSK3AGSK3BKMT2A
SCHEMBL209163 0.76 DGKA (0.44) ALDH1A1CYP1A2HPGDCYP2C19BLM

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-108633278-B Amyloid conjugates and uses and methods thereof 艾拉科隆生物技术公司 2022-09-13 CN disclosed