SCHEMBL6887707

SCHEMBL6887707

O=C(O)c1ccc(O)cc1N1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
PTPN1 P18031 2/20 0.46
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
MYC P01106 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL317626 0.81 CA12 (0.42) CA12CA1CA9PTPN1MYC
SCHEMBL317703 0.81 KEAP1 (0.43) CA12CA1CA9CA2ALDH1A1
SCHEMBL31653832 0.81 KEAP1 (0.43) CA12CA1CA9CA2ALDH1A1
SCHEMBL610788 0.80 CA12 (0.41) CA12CA1CA9ALDH1A1PTPN1
SCHEMBL1464604 0.80 CA12 (0.41) CA12CA1CA9ALDH1A1TSHR
SCHEMBL24425951 0.79 CA12 (0.40) CA12CA1CA9CA2CA7
SCHEMBL10627311 0.79 MCL1 (0.42) CA12CA1CA9PTPN1MYC
SCHEMBL4256629 0.78 GAA (0.41) CA12CA1CA9ALDH1A1TSHR
SCHEMBL9596295 0.78 CA12 (0.39) CA12CA1CA9ALDH1A1MYC
SCHEMBL9262225 0.77 GAA (0.55) CA12CA1CA9ALDH1A1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087733-A2 PREVENTION AND TREATMENT OF ALZHEIMER AMYLOID DEPOSITION NEW YORK UNIVERSITY (US) 2004-10-14 WO disclosed
EP-0170415-B1 PHENANTHRIDINIUM ESTER AS A LABELLING COMPOUND IN LUMINOMETRIC IMMUNOASSAY Mallinckrodt, Inc. (a Delaware corporation) (US) 1988-04-20 EP disclosed
US-4687747-A Phenanthridinium ester as a labelling compound in luminometric immunoassay MALLINCKRODT, INC. (US) 1987-08-18 US disclosed
EP-0170415-A1 Phenanthridinium ester as a labelling compound in luminometric immunoassay Mallinckrodt, Inc. (a Delaware corporation) (US) 1986-02-05 EP disclosed