SCHEMBL24326937

SCHEMBL24326937

CC(C)c1cccc2c1C(=O)N(C(CCC=O)C(N)=O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 2/20 0.38
ANPEP P15144 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.34
TNF P01375 2/20 0.34

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
SCHEMBL22525461 0.86 ANPEP (0.37) ALDH1A1POLBDPP4ANPEPLMNA
SCHEMBL21308302 0.85 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1DPP4LMNA
SCHEMBL21308307 0.85 ALDH1A1 (0.43) ALDH1A1POLBL3MBTL1DPP4ANPEP
SCHEMBL6261469 0.85 ALDH1A1 (0.53) ALDH1A1POLBL3MBTL1DPP4ANPEP
SCHEMBL17884698 0.84 ALDH1A1 (0.45) ALDH1A1POLBL3MBTL1DPP4ANPEP
SCHEMBL20046786 0.83 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1LMNAHTT
SCHEMBL21136309 0.83 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1LMNAHTT
SCHEMBL21308118 0.83 TNF (0.44) ALDH1A1POLBL3MBTL1KDM4EHSD17B10
SCHEMBL21349847 0.82 ALDH1A1 (0.60) ALDH1A1POLBL3MBTL1LMNAKDM4E
SCHEMBL6257151 0.82 ALDH1A1 (0.48) ALDH1A1POLBL3MBTL1DPP4ANPEP

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-2022068933-A1 COMPOUNDS AND METHODS OF TREATING DISEASES CULLGEN (SHANGHAI) , INC. (CN) 2022-04-07 WO disclosed