SCHEMBL9843326

SCHEMBL9843326

O=C1CC(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
APEX1 P27695 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 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
SCHEMBL28226110 0.75 GSK3A (0.44) LMNAMEN1APEX1KMT2ATDP1
SCHEMBL14392724 0.74 LMNA (0.40) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL22650155 0.74 ALDH1A1 (0.37) LMNAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL1421996 0.74 CHRM2 (0.39) MEN1APEX1KMT2ATDP1L3MBTL1
SCHEMBL15563667 0.74
SCHEMBL23234378 0.73 ALDH1A1 (0.39) LMNAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL4602809 0.73 BACE1 (0.35) LMNAMEN1KMT2AALDH1A1
SCHEMBL4450426 0.73 PTGS1 (0.36) LMNAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL18033768 0.72 ALDH1A1 (0.36) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27792437 0.72 ALDH1A1 (0.35) LMNAALDH1A1CYP1A2HPGDCYP2C19

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
US-5011770-A Complexing with labeled protein; quantitative analysis MOLECULAR DEVICES, INC. (US) 1991-04-30 US disclosed