SCHEMBL9199571

SCHEMBL9199571

CCOC(=O)c1cnc(-c2ccc(O)c(O)c2)[nH]c1=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CSNK1D P48730 1/20 0.52
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.47
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA6 P23280 2/20 0.45
CA13 Q8N1Q1 2/20 0.45

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
SCHEMBL4949585 0.82 KDM4E (0.63) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL2897245 0.82 KDM4E (0.72) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL11628696 0.81 KDM4E (0.75) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL4763787 0.81 KDM4E (0.64) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL23574396 0.81 KDM4E (0.64) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL8949035 0.81 KDM4E (0.60) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL9205892 0.80 GUSB (0.51)
SCHEMBL11630603 0.80 KDM4E (1.00) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL4376727 0.80 KDM4E (0.76) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL9204608 0.79 GUSB (0.44) KDM4EALDH1A1

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
EP-0341948-B1 Cephalosporins, process for their preparation and pharmaceutical compositions ICI PLC (GB) 1995-01-11 EP disclosed
US-5149803-A Intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-22 US disclosed
US-5055462-A CEPHALOSPORIN COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-08 US disclosed
EP-0341948-A2 Cephalosporins, process for their preparation and pharmaceutical compositions ZENECA LIMITED (GB) 1989-11-15 EP disclosed