SCHEMBL9530171

SCHEMBL9530171

O=C1NC(/C=C/c2ccccc2)C1N1C(=O)C(OCc2ccccc2)C(OCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
AVPR1A P37288 3/20 0.35
LMNA P02545 2/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 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
SCHEMBL9530175 1.00 BCHE (0.42) BCHEACHEALDH1A1MAPTTP53
SCHEMBL10546302 0.74 MAPT (0.37) ALDH1A1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL10546311 0.74 MAPT (0.37) ALDH1A1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL10546277 0.74 MAPT (0.37) ALDH1A1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL10546288 0.74 MAPT (0.37) ALDH1A1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL9534753 0.73 SOAT1 (0.43) ALDH1A1MAPTTP53HSP90AA1ALOX12
SCHEMBL9534744 0.73 SOAT1 (0.43) ALDH1A1MAPTTP53HSP90AA1ALOX12
SCHEMBL10672053 0.73 SOAT1 (0.43) ALDH1A1MAPTTP53HSP90AA1ALOX12
SCHEMBL10695299 0.69 AVPR1A (0.42) ALDH1A1MAPTTP53HSP90AA1ALOX12
SCHEMBL4175659 0.68 BCHE (0.51) BCHEACHEALDH1A1L3MBTL1PSEN1

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