SCHEMBL8891001

SCHEMBL8891001

CCCCCCCCC(O)C=Cc1cccc(Oc2cccc(C(=O)OC)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.42
PPARG P37231 2/20 0.39
GRM2 Q14416 1/20 0.38
PTGIR P43119 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MTOR P42345 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PLIN1 O60240 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PLIN5 Q00G26 1/20 0.38

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
SCHEMBL8890993 1.00 LTB4R (0.52) LTB4RL3MBTL1LMNAPPARGGRM2
SCHEMBL8772177 0.90 LTB4R (0.64) LTB4RPTGIR
SCHEMBL8891845 0.90 LTB4R (0.64) LTB4RPTGIR
SCHEMBL8772178 0.83 LTB4R (0.56) LTB4RPPARGGRM2PTGIRALDH1A1
SCHEMBL8772190 0.83 LTB4R (0.56) LTB4RPPARGGRM2PTGIRALDH1A1
SCHEMBL8772186 0.83 LTB4R (0.56) LTB4RPPARGGRM2PTGIRALDH1A1
SCHEMBL8772173 0.81 LTB4R (0.59) LTB4RGRM2ALDH1A1MTORPMP22
SCHEMBL8772162 0.81 LTB4R (0.59) LTB4RGRM2ALDH1A1MTORPMP22
SCHEMBL8772187 0.80 LTB4R (0.55) LTB4RPPARGGRM2PTGIRALDH1A1
SCHEMBL8772183 0.80 LTB4R (0.55) LTB4RPPARGGRM2PTGIRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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