SCHEMBL9531046

SCHEMBL9531046

CCOC(=O)C(O)(CC)C(O)(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
RECQL P46063 1/20 0.51
MMP8 P22894 1/20 0.51
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPN1 P18031 4/20 0.43
PTPN2 P17706 1/20 0.43
PTPRB P23467 1/20 0.43
ACP1 P24666 1/20 0.43
PIN1 Q13526 1/20 0.43
PTPRC P08575 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL28879401 0.89 ALDH1A1 (0.60) ALDH1A1RECQLMMP8POLBNPSR1
SCHEMBL12555524 0.81 POLB (0.65) ALDH1A1RECQLMMP8POLBNPSR1
SCHEMBL27493575 0.79 ALDH1A1 (0.54) ALDH1A1RECQLMMP8PTPN1PTPN2
SCHEMBL25953192 0.79 MMP8 (0.55) ALDH1A1RECQLMMP8PIN1KMT2A
SCHEMBL17027466 0.77 ALDH1A1 (0.57) ALDH1A1RECQLMMP8POLBNPSR1
SCHEMBL17617120 0.77 ALDH1A1 (0.53) ALDH1A1RECQLMMP8PTPN1PTPRC
SCHEMBL2269978 0.77 ALDH1A1 (0.53) ALDH1A1RECQLMMP8NPSR1PIN1
SCHEMBL30513307 0.77 ALDH1A1 (0.60) ALDH1A1RECQLMMP8POLBNPSR1
SCHEMBL7944901 0.77 ALDH1A1 (0.56) ALDH1A1PTPN1PTPRCKMT2AMEN1
SCHEMBL8661661 0.77 MMP8 (0.60) ALDH1A1RECQLMMP8POLBNPSR1

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