SCHEMBL8772173

SCHEMBL8772173

CCCCCCCCC(O)C=Cc1cccc(C(O)c2cccc(C(=O)OC)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.59
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 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
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
ABHD5 Q8WTS1 1/20 0.38
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL8772162 1.00 LTB4R (0.59) LTB4RGRM2ALDH1A1NFKB1MTOR
SCHEMBL8772164 0.89 LTB4R (0.73) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL8772149 0.89 LTB4R (0.73) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL8772287 0.85 LTB4R (0.81) LTB4RGRM2ALDH1A1NFKB1MTOR
SCHEMBL8772272 0.85 LTB4R (0.81) LTB4RGRM2ALDH1A1NFKB1MTOR
SCHEMBL8772280 0.85 LTB4R (0.81) LTB4RGRM2ALDH1A1NFKB1MTOR
SCHEMBL8772186 0.83 LTB4R (0.56) LTB4RGRM2ALDH1A1NFKB1MTOR
SCHEMBL8772190 0.83 LTB4R (0.56) LTB4RGRM2ALDH1A1NFKB1MTOR
SCHEMBL8772178 0.83 LTB4R (0.56) LTB4RGRM2ALDH1A1NFKB1MTOR
SCHEMBL8891001 0.81 LTB4R (0.52) LTB4RGRM2ALDH1A1NFKB1MTOR

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 3 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