SCHEMBL31483004

SCHEMBL31483004

CC1(O)CCC(NC(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.42
EPHX2 P34913 2/20 0.39
LMNA P02545 2/20 0.38
BLM P54132 1/20 0.38
HPGDS O60760 1/20 0.36
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.34
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
POLB P06746 1/20 0.33
CSNK1E P49674 1/20 0.33
CD38 P28907 1/20 0.33
PTGES O14684 1/20 0.33
MAPK10 P53779 1/20 0.33
ESR2 Q92731 1/20 0.32
EPHX1 P07099 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL11818061 0.85 EPHX2 (0.51) G6PDEPHX2LMNABLMHPGD
SCHEMBL13232125 0.82 G6PD (0.38) G6PDEPHX2LMNABLMHPGD
SCHEMBL17251654 0.81 ATM (0.44) EPHX2LMNABLMHPGDSHPGD
SCHEMBL1034667 0.81 GRIN1 (0.42) EPHX2LMNABLMHPGDSHPGD
SCHEMBL1723506 0.81 GRIN1 (0.42) EPHX2LMNABLMHPGDSHPGD
SCHEMBL2194478 0.81 GRIN1 (0.42) EPHX2LMNABLMHPGDSHPGD
SCHEMBL15233305 0.80 EPHX2 (0.37) G6PDEPHX2LMNABLMMAPT
SCHEMBL22311168 0.78 G6PD (0.43) G6PDEPHX2LMNABLMHPGDS
SCHEMBL21913642 0.78 EPHX2 (0.45) G6PDEPHX2LMNABLMHPGDS
SCHEMBL6495439 0.78 G6PD (0.43) G6PDEPHX2LMNABLMHPGDS

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-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed