SCHEMBL9794868

SCHEMBL9794868

CCOC(=O)c1ccc(OCCCC(C#N)C(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TBXAS1 P24557 1/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ESR2 Q92731 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 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
SCHEMBL9794854 0.82 CA1 (0.42) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL7973009 0.82 MEN1 (0.76) MEN1KMT2ATDP1L3MBTL1KCNH2
SCHEMBL9043813 0.81 TDP1 (0.50) MEN1KMT2ATDP1L3MBTL1KCNH2
SCHEMBL5166263 0.79 TDP1 (0.66) KMT2ATDP1L3MBTL1KCNH2HRH3
SCHEMBL6701399 0.79 TDP1 (0.74) MEN1KMT2ATDP1L3MBTL1KCNH2
SCHEMBL7961195 0.78 L3MBTL1 (0.61) KMT2ATDP1L3MBTL1KCNH2HRH3
SCHEMBL11546683 0.77 MEN1 (0.59) MEN1KMT2ATDP1L3MBTL1KCNH2
SCHEMBL21157703 0.77 RARB (0.64) MEN1KMT2ATDP1L3MBTL1KCNH2
SCHEMBL6867384 0.77 TDP1 (0.64) TDP1L3MBTL1KCNH2HRH3TBXAS1
SCHEMBL8982266 0.77 CA1 (0.40) MEN1KMT2ATDP1MAPTALDH1A1

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-0409382-A1 Glutamic acid derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 EP disclosed
WO-1990014340-A1 GLUTAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1990-11-29 WO disclosed
US-4971973-A Antitumor agents from polyglutamic acid modified with n- 4- 3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl!propoxyl!benzoyl -glutamic acid BURROUGHS WELLCOME CO. (US) 1990-11-20 US disclosed