SCHEMBL9531044

SCHEMBL9531044

CCOC(=O)C(O)C(O)C(=O)OCC.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
MMP8 P22894 2/20 0.51
PIN1 Q13526 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL8424336 0.87 ALDH1A1 (0.56) TDP1MMP8PIN1L3MBTL1MEN1
SCHEMBL8424338 0.87 ALDH1A1 (0.56) TDP1MMP8PIN1L3MBTL1MEN1
SCHEMBL13699231 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTDP1MMP8PIN1
SCHEMBL13699367 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTDP1MMP8PIN1
SCHEMBL27707724 0.86 L3MBTL1 (0.52) SMN1; SMN2MAPTTDP1MMP8PIN1
SCHEMBL991355 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTDP1MMP8PIN1
SCHEMBL614649 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTDP1MMP8PIN1
SCHEMBL820513 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTDP1MMP8PIN1
SCHEMBL13557796 0.81 TDP1 (0.60) SMN1; SMN2TDP1L3MBTL1NPC1LMNA
SCHEMBL13557800 0.81 TDP1 (0.60) SMN1; SMN2TDP1L3MBTL1NPC1LMNA

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