SCHEMBL9684776

SCHEMBL9684776

CSc1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.60
PTPRC P08575 2/20 0.58
CSNK2A2 P19784 6/20 0.47
CSNK2B P67870 6/20 0.47
CSNK2A1 P68400 6/20 0.47
CSNK2A3 Q8NEV1 6/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HPGD P15428 1/20 0.47
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
S100A4 P26447 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL599578 0.85 TTR (0.81) TTRPTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL31086890 0.81 TTR (0.80) TTRPTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL71021 0.81 TTR (0.88) TTRPTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL31436145 0.81 TTR (0.88) TTRPTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL598301 0.81 TTR (0.88) TTRPTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL6901581 0.81 TTR (0.80) TTRPTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL600296 0.81 TTR (0.80) TTRPTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL29036115 0.81 MCL1 (0.46) MAPTHPGDCDC25ACDC25BS100A4
Ammonia Solution, Strong SCHEMBL11846203 0.79 TTR (0.77) TTRPTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL8954247 0.79 TTR (0.66) TTRPTPRCCSNK2A2CSNK2BCSNK2A1

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
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed