SCHEMBL9794827

SCHEMBL9794827

CCOC(=O)c1ccc(OCCCBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
TBXAS1 P24557 1/20 0.56
LMNA P02545 2/20 0.56
SCN1A P35498 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 5/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ESR1 P03372 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
ESR2 Q92731 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL7042805 0.95 L3MBTL1 (0.59) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL11546943 0.95 L3MBTL1 (0.59) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL8942511 0.95 L3MBTL1 (0.59) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL1961069 0.92 TDP1 (0.62) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL10408395 0.91 KCNH2 (0.62) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL10409033 0.91 KCNH2 (0.62) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL9450233 0.91 KCNH2 (0.62) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL5166263 0.88 TDP1 (0.66) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL6701399 0.88 TDP1 (0.74) L3MBTL1TDP1KCNH2HRH3TBXAS1
SCHEMBL1963772 0.86 TDP1 (0.60) L3MBTL1TDP1KCNH2HRH3TBXAS1

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