SCHEMBL8890563

SCHEMBL8890563

CCCCCCCC[C@H](O)/C=C/c1cccc([C@@H](O)CCCC(=O)O)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.57
PTGER4 P35408 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 2/20 0.44
FPR2 P25090 2/20 0.44
NFKB1 P19838 2/20 0.44
GPR132 Q9UNW8 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MTOR P42345 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 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
SCHEMBL8772147 1.00 LTB4R (0.57) LTB4RPTGER4ALDH1A1LMNAPOLB
SCHEMBL8890568 1.00 LTB4R (0.57) LTB4RPTGER4ALDH1A1LMNAPOLB
SCHEMBL8772138 0.88 LTB4R (0.52) LTB4RPTGER4ALDH1A1PPARGFPR2
SCHEMBL8772243 0.88 LTB4R (0.52) LTB4RPTGER4ALDH1A1PPARGFPR2
SCHEMBL8772239 0.88 LTB4R (0.52) LTB4RPTGER4ALDH1A1PPARGFPR2
SCHEMBL8772227 0.87 LTB4R (0.55) LTB4RPTGER4ALDH1A1NFKB1MTOR
SCHEMBL8772216 0.87 LTB4R (0.55) LTB4RPTGER4ALDH1A1NFKB1MTOR
SCHEMBL8772204 0.87 LTB4R (0.55) LTB4RPTGER4ALDH1A1NFKB1MTOR
SCHEMBL8849939 0.85 LTB4R (0.62) LTB4RALDH1A1LMNARECQLTDP1
SCHEMBL8849953 0.85 LTB4R (0.62) LTB4RALDH1A1LMNARECQLTDP1

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