SCHEMBL3709946

SCHEMBL3709946

O=C(O)COc1ccc2ccccc2c1Br

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 7/20 0.71
RXFP1 Q9HBX9 6/20 0.71
ALDH1A1 P00352 3/20 0.71
HPGD P15428 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 4/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C19 P33261 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
LMNA P02545 1/20 0.61
MAPK1 P28482 2/20 0.60
TP53 P04637 1/20 0.60
CASP1 P29466 1/20 0.60

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
SCHEMBL29506888 0.83 ALDH1A1 (0.70) PRNPRXFP1ALDH1A1HPGDKDM4E
SCHEMBL22169441 0.83 ALDH1A1 (0.70) PRNPRXFP1ALDH1A1HPGDKDM4E
SCHEMBL27925883 0.82 ALDH1A1 (0.68) PRNPRXFP1ALDH1A1HPGDKDM4E
SCHEMBL18209401 0.81 TDP1 (0.66) PRNPRXFP1ALDH1A1HPGDKDM4E
SCHEMBL18209413 0.81 ALDH1A1 (0.66) PRNPRXFP1ALDH1A1HPGDKDM4E
SCHEMBL6562825 0.81 ALDH1A1 (0.66) PRNPRXFP1ALDH1A1HPGDKDM4E
SCHEMBL1368627 0.80 RXFP1 (0.64) PRNPRXFP1ALDH1A1HPGDRAB9A
Naphthyloxyacetic Acid SCHEMBL120838 0.80 KDM4E (1.00) ALDH1A1HPGDKDM4ETDP1SMN1; SMN2
Naphthyloxyacetic Acid SCHEMBL29364154 0.80 KDM4E (1.00) ALDH1A1HPGDKDM4ETDP1SMN1; SMN2
SCHEMBL2560912 0.78 L3MBTL1 (0.67) PRNPRXFP1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104276974-B 1 urea phosphate glycosides acyltransferase inhibitor of N acetylglucosamines and its preparation method and application 华中农业大学 2017-04-05 CN claimed
CN-104276974-B 1 urea phosphate glycosides acyltransferase inhibitor of N acetylglucosamines and its preparation method and application 华中农业大学 2017-04-05 CN disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed