SCHEMBL6470514

SCHEMBL6470514

O=C(O)c1cccc(OCc2ccccc2)c1F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.59
NPC1 O15118 1/20 0.58
MRGPRX4 Q96LA9 3/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SGMS2 Q8NHU3 2/20 0.54
DHODH Q02127 1/20 0.53
FOLH1 Q04609 2/20 0.52
HTT P42858 1/20 0.51
MCL1 Q07820 1/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL20819599 0.88 MAPT (0.56) PTGER1NPC1MRGPRX4LMNAMAPT
SCHEMBL9650260 0.87 FOLH1 (0.56) PTGER1NPC1MRGPRX4LMNAMAPT
SCHEMBL8303386 0.86 HTT (0.58) PTGER1NPC1LMNAMAPTL3MBTL1
SCHEMBL20819560 0.85 NPC1 (0.53) PTGER1NPC1MRGPRX4LMNAMAPT
SCHEMBL112903 0.84 SGMS2 (0.66) PTGER1NPC1LMNAMAPTL3MBTL1
SCHEMBL29433417 0.84 SGMS2 (0.66) PTGER1NPC1LMNAMAPTL3MBTL1
Bicarbonate SCHEMBL236872 0.83 SGMS2 (0.64) PTGER1NPC1LMNAMAPTL3MBTL1
Bicarbonate SCHEMBL21753662 0.83 SGMS2 (0.64) PTGER1NPC1LMNAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL8998291 0.83 SGMS2 (0.64) PTGER1NPC1LMNAMAPTL3MBTL1
Bicarbonate SCHEMBL29914194 0.83 SGMS2 (0.64) PTGER1NPC1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
EP-1515926-A2 FLUOROBENZAMIDES SUITABLE FOR THE TREATMENT OF ALZHEIMER'S DISEASE OR SENILE DEMENTIA F.HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
WO-2003106380-A2 FLUOROBENZAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2003-12-24 WO disclosed
CN-1087291-C N-hydroxyureas as anti-inflammatory agents PFIZER (US) 2002-07-10 CN disclosed
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed
CN-1191531-A N-hydroxyureas as antiinflammatory agents PFIZER (US) 1998-08-26 CN disclosed
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed