SCHEMBL5317430

SCHEMBL5317430

FC(F)(F)c1ccc(OCCCBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.50
LTA4H P09960 1/20 0.49
MAOB P27338 5/20 0.47
PPARA Q07869 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 1/20 0.45
AOC3 Q16853 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CACNA1B Q00975 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7248303 0.94 NOS1 (0.51) NOS1LTA4HMAOBPPARACHRNB2
SCHEMBL31706291 0.92 NOS1 (0.52) NOS1LTA4HMAOBPPARACHRNB2
SCHEMBL4104367 0.92 NOS1 (0.52) NOS1LTA4HMAOBPPARACHRNB2
SCHEMBL6750419 0.92 NOS1 (0.52) NOS1LTA4HMAOBPPARACHRNB2
SCHEMBL17233207 0.92 NOS1 (0.52) NOS1LTA4HMAOBPPARACHRNB2
SCHEMBL4332998 0.90 LTA4H (0.50) NOS1LTA4HMAOBPPARACHRNB2
SCHEMBL7152797 0.89 NOS1 (0.48) NOS1LTA4HMAOBPPARA
SCHEMBL10738323 0.87 SRD5A2 (0.51) MAOBPPARAALDH1A1
SCHEMBL2530176 0.82 KCNA3 (0.50) LTA4HALDH1A1DRD2DRD3
SCHEMBL12409185 0.82 CHRNB2 (0.54) NOS1LTA4HMAOBPPARACHRNB2

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
US-5817826-A INHIBIT FORMATION OF PROSTAGLANDINS, LEUKOTRIENES; ANTIINFLAMMATION AGENTS SHIONOGI & CO., LTD. (JP) 1998-10-06 US disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed
EP-0675114-A1 OXAZOLINONE DERIVATIVE HAVING INTRACELLULAR PHOSPHOLIPASE A 2? INHIBITOR ACTIVITY SHIONOGI & CO., LTD. (JP) 1995-10-04 EP disclosed