SCHEMBL8772177

SCHEMBL8772177

CCCCCCCCC(O)/C=C/c1cccc(Oc2cccc(C(=O)O)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.64
PLA2G4B P0C869 2/20 0.43
PTGIR P43119 1/20 0.41
KMT2A Q03164 1/20 0.40
PTGER4 P35408 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL8891845 1.00 LTB4R (0.64) LTB4RPLA2G4BPTGIRKMT2APTGER4
SCHEMBL8891001 0.90 LTB4R (0.52) LTB4RPTGIR
SCHEMBL8890993 0.90 LTB4R (0.52) LTB4RPTGIR
SCHEMBL8772225 0.81 LTB4R (0.69) LTB4RPTGER4
SCHEMBL8772212 0.81 LTB4R (0.69) LTB4RPTGER4
SCHEMBL8772230 0.81 LTB4R (0.69) LTB4RPTGER4
SCHEMBL8891515 0.79 LTB4R (0.54) LTB4RPTGIR
SCHEMBL8772181 0.79 LTB4R (0.54) LTB4RPTGIR
SCHEMBL8772149 0.79 LTB4R (0.73) LTB4RPTGER4
SCHEMBL8772164 0.79 LTB4R (0.73) LTB4RPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801061-A2 Leucotrien-B4 derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-15 EP disclosed
US-5614634-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5440044-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
EP-0477311-A1 NEW LEUCOTRIENE B 4? DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed
WO-1991014676-A1 NEW LEUCOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-10-03 WO disclosed