SCHEMBL26698263

SCHEMBL26698263

NC(=O)CCC1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
TARDBP Q13148 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NSD2 O96028 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
NAMPT P43490 1/20 0.30
HSD11B1 P28845 1/20 0.30
IRAK4 Q9NWZ3 2/20 0.30
PARP1 P09874 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL10285 0.90 KMT2A (0.36) KMT2ATARDBPNSD2KDM4EPSEN1
SCHEMBL2657376 0.88 KDM4E (0.38) KMT2ATARDBPPDE4APDE4BPDE4C
SCHEMBL30701348 0.87 KMT2A (0.41) KMT2ATARDBPNAMPT
Hydrochloric Acid SCHEMBL27002611 0.86 KDM4E (0.36) KMT2ATARDBPPDE4APDE4BPDE4C
SCHEMBL26603825 0.83
SCHEMBL2195114 0.82 GLA (0.34) NSD2
SCHEMBL9186 0.81 KMT2A (0.35) KMT2ATARDBPPDE4APDE4BPDE4C
SCHEMBL23085402 0.80 ALDH1A1 (0.35) PDE4APDE4BPDE4CPDE4DNSD2
SCHEMBL25434640 0.79 KMT2A (0.41) KMT2ATARDBPPSEN1PSEN2APH1B
SCHEMBL20919435 0.79

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-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed