SCHEMBL9533527

SCHEMBL9533527

CCOC(=O)C(OOCc1ccccc1)C(OOCc1ccccc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 5/20 0.49
MMP8 P22894 2/20 0.48
PIN1 Q13526 1/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9532125 0.83 KMT2A (0.56) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL10472894 0.80 SLC1A1 (0.56) L3MBTL1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL4955338 0.80 SLC1A1 (0.56) L3MBTL1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL2000769 0.79 L3MBTL1 (0.54) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL23485348 0.78 PTGS2 (0.57) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL20418679 0.78 L3MBTL1 (0.52) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL8215545 0.78 PTGS2 (0.57) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL12216811 0.78 PTGS2 (0.57) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL12674439 0.77 ALDH1A1 (0.58) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL14945154 0.77 LMNA (0.51) L3MBTL1LMNAALDH1A1MMP8PIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252744-B1 3-Beta-(3,4-disubstituted succinimido)azetidinones LILLY CO ELI (US) 1993-12-15 EP disclosed
US-4734498-A 3β-succinimidoazetidinones as chiral intermediates ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
EP-0252744-A2 3-Beta-(3,4-disubstituted succinimido)azetidinones ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed