SCHEMBL8400523

SCHEMBL8400523

CCOC(=O)c1ccc(OCOCCOC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 3/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ESR1 P03372 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
ESR2 Q92731 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAOA P21397 1/20 0.50

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
SCHEMBL15561981 0.91 TDP1 (0.62) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL3098710 0.91 TDP1 (0.62) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL6279787 0.87 CA12 (0.58) TDP1L3MBTL1MAPTCA12CA1
Ethylparaben SCHEMBL10799572 0.87 ESR1 (0.52) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL1503528 0.86 MAPT (0.69) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL2877777 0.85 TDP1 (0.55) TDP1L3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9929828 0.83 ALDH1A1 (0.66) TDP1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL4912817 0.82 TDP1 (0.52) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL6701399 0.82 TDP1 (0.74) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL5396072 0.82 MAPT (0.63) TDP1L3MBTL1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8325252-A None JP disclosed
US-5900426-A ANTILIPEMIC AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-05-04 US disclosed
EP-0735029-B1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 1998-06-03 EP disclosed
JP-H08325252-A NEW BENZOTHIAZOLE DERIVATIVE NIPPON ZOKI PHARMACEUT CO LTD 1996-12-10 JP disclosed
EP-0735029-A1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-10-02 EP disclosed
US-4698338-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1987-10-06 US disclosed
EP-0233780-A2 O-substituted oximino cephalosporins ELI LILLY AND COMPANY (US) 1987-08-26 EP disclosed