SCHEMBL22698792

SCHEMBL22698792

CNC(=O)C(CCC=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 4/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14629574 0.86 TNF (0.42) ALDH1A1TP53POLBKDM4EGLA
SCHEMBL19451332 0.86 TNF (0.42) ALDH1A1TP53POLBKDM4EGLA
SCHEMBL25031536 0.86 GAA (0.40) ALDH1A1TP53POLBKDM4EGLA
SCHEMBL21759891 0.86 GAA (0.45) ALDH1A1TP53POLBKDM4EGLA
SCHEMBL19370684 0.86 TP53 (0.49) ALDH1A1TP53POLBKDM4EGLA
SCHEMBL25816955 0.85 MAPT (0.39) ALDH1A1TP53POLBKDM4EGLA
SCHEMBL24267204 0.85 L3MBTL1 (0.39) ALDH1A1TP53KDM4ECYP2D6HPGD
SCHEMBL22434633 0.85 ALDH1A1 (0.43) ALDH1A1TP53POLBKDM4EGLA
SCHEMBL22317736 0.85 TNF (0.42) ALDH1A1TP53POLBKDM4EGLA
SCHEMBL25478328 0.85 MAPK1 (0.38) ALDH1A1TP53POLBKDM4EGLA

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-2020236797-A1 VARIANT CD58 DOMAINS AND USES THEREOF NOVARTIS AG (CH) 2020-11-26 WO disclosed